TIPS ether
Athanor · official
C9H22OSi · 174.36 g/mol
IUPAC name: hydroxy-tri(propan-2-yl)silane
Also called TIPS, OTIPS, triisopropylsilyl
Names and identifiers
- IUPAC name
- hydroxy-tri(propan-2-yl)silane
- Synonyms
- TIPS, OTIPS, triisopropylsilyl
+ 30 more
Triisopropylsilanol, DTXSID70339192, 1,1,1-Tris(1-methylethyl)silanol, Q6NW8LDH57, RefChem:1051679, DTXCID10290273, hydroxy-tri(propan-2-yl)silane, Silanol, 1,1,1-tris(1-methylethyl)-, TRIISOPROPYLSILANOL 98, MFCD01863576, Silanol, tris(1-methylethyl)-, triisopropyl-silanol, SCHEMBL29804, TRIISOPROPYLSILANOL 98, AC8240, CS-0448899, AMY18698, tri-iso-propylsilanol, Triisopropylsilanol #, Silanol,1,1,1-tris(1-methylethyl)-, Tri(propan-2-yl)silanol, hydroxy(triisopropyl)silane, A881370, SCHEMBL29803, TRIISOPROPYLSILANOL, 98%, AS-75689, SY248725, FT-070069, F556656, J-011400
- Molecular formula
- C9H22OSi
- Empirical formula
- C9H21*OSi
- Molecular weight
- 174.36 g/mol
- Exact mass
- 174.14399
- CAS number
- 17877-23-5
- PubChem CID
- 554410
- Canonical SMILES
- CC(C)[Si](C(C)C)(C(C)C)O
- Isomeric SMILES
- CC(C)[Si](C(C)C)(C(C)C)O
- InChI
- InChI=1S/C9H22OSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3
- InChIKey
- MQNNNLJCDJBERF-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 11
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 1
- H-bond donors
- 0 computed here · PubChem 1
- H-bond acceptors
- 1
- Rotatable bonds
- 4 computed here · PubChem 3
- TPSA (Ų)
- 9.2 computed here · PubChem 20.2
- Formal charge
- 0
- Complexity
- 97 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
Elemental analysis
- C62.36%
- H12.21%
- *0.00%
- O9.23%
- Si16.20%
Isotope pattern
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
- 3.64 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -2.95 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.54 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 173.35
- log P ≤ 5 (Crippen): 3.64
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 1
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
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: MolCore, AiFChem, an XtalPi Company, AppChem.
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]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [2]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.