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Acetonide

Athanor · official

C5H10O2 · 102.13 g/mol

IUPAC name: 2,2-dimethyl-1,3-dioxolane

Also called isopropylidene, isopropylidene ketal, diol protecting group

Protecting groupsRings
Open in Athanor
The structure of Acetonide
Drawn from its SMILES with RDKit
FlammableDangerHighly Flammable liquid and vapor

Names and identifiers

IUPAC name
2,2-dimethyl-1,3-dioxolane
Synonyms
isopropylidene, isopropylidene ketal, diol protecting group
+ 39 more

2,2-Dimethyl-1,3-dioxolane, 1,3-Dioxolane, 2,2-dimethyl-, EINECS 220-842-4, Acetone, cyclic ethylene acetal, SIJBDWPVNAYVGY-UHFFFAOYSA-, DTXSID10183419, NSC 86111, RefChem:81035, DTXCID70105910, 220-842-4, InChI=1/C5H10O2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3, SIJBDWPVNAYVGY-UHFFFAOYSA-N, Acetone ethylene acetal, MFCD00014106, 2.2-dimethyl-1.3-dioxolane, 1,3-Dioxolane, dimethyl-, NSC86111, SCHEMBL85991, SCHEMBL332117, SCHEMBL588557, SCHEMBL932700, SCHEMBL3419601, SCHEMBL6030697, 2,2-dimethyl-[1,3]dioxolane, CHEMBL5285009, CCG-40566, MSK158184, NSC-86111, 2,2-Dimethyl-1,3-dioxolane, 98%, AKOS015842205, MSK158184-1000M, BS-22228, DB-001195, CS-0181795, D0709, NS00028644, D89708, F624241, 2,2-Dimethyl-1,3-dioxolane Solution in Methanol, 1000ug/mL

Molecular formula
C5H10O2
Empirical formula
C5H8*2O2
Molecular weight
102.13 g/mol
Exact mass
102.06808
CAS number
2916-31-6
PubChem CID
76209
Canonical SMILES
CC1(OCCO1)C
Isomeric SMILES
CC1(OCCO1)C
InChI
InChI=1S/C5H10O2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
InChIKey
SIJBDWPVNAYVGY-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
7
Rings
1
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
TPSA (Ų)
18.5
Formal charge
0
XLogP3
0.5 PubChem
Complexity
60 PubChem
Stereocenters
0 defined, 2 undefinedCIP: C2: undefined · C8: undefined
Double-bond geometry
None specified

Elemental analysis

  • C59.98%
  • H8.05%
  • *0.00%
  • O31.96%

Isotope pattern

100%100.0525.6%101.056102.057

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
0.52 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.79 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
5.99 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 100.12
  • log P ≤ 5 (Crippen): 0.52
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 47 company reports to ECHA. Source [1].

  • Flammable
  • H225Highly Flammable liquid and vapor

Precautionary statements: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Safety data sheets on the supplier’s page: CymitQuimica, 1st Scientific, Alfa Chemistry.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  5. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  6. ·Literature on PubChem

Data last updated 2026-10-14.