TBS ether

Names and identifiers

IUPAC name

tert-butyl-hydroxy-dimethylsilane

Synonyms

TBS, OTBS, TBDMS

+ 37 more

tert-butyldimethylsilyl, silyl ether, tert-Butyldimethylsilanol, DTXSID60339207, RefChem:188236, DTXCID60290288, 629-090-5, FGWRMMTYIZKYMA-UHFFFAOYSA-N, t-Butyldimethylsilanol, tert-butyl-hydroxy-dimethylsilane, MFCD00010673, Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl-, TBSOH, t-Butyl dimethyl silanol, LEW8F2A2ZV, dimethyl tert-butyl silanol, Silanol, tert-butyldimethyl-, S03322, SY106641, Q63392797, Silanol, (1,1-dimethylethyl)dimethyl-, tert-Butyl dimethyl silanol, tert-Butyldi(methyl)silanol, SCHEMBL29145, SCHEMBL29146, CHEMBL379731, tert-Butyldimethylsilanol, 99%, tert-butyl-hydroxy-dimethyl-silane, HTS26427, AKOS024272215, Tert-Butyldimethylsilalbutyldimethylsilal, BS-52941, DB-044439, 1-(1,1-Dimethylethyl)-1,1-dimethylsilanol, B5499, CS-0154947, D89137

Molecular formula

C₆H₁₆OSi

Empirical formula

C₆H₁₅*OSi

Molecular weight

132.28 g/mol

Exact mass

132.09704

CAS number

18173-64-3

PubChem CID

554527

Canonical SMILES

CC(C)(C)[Si](C)(C)O

Isomeric SMILES

CC(C)(C)[Si](C)(C)O

InChI

InChI=1S/C6H16OSi/c1-6(2,3)8(4,5)7/h7H,1-5H3

InChIKey

FGWRMMTYIZKYMA-UHFFFAOYSA-N

Molfile

Copy molfile tbs.mol

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

Calculated

Heavy atoms

8

Rings

0

Aromatic rings

0

Fraction sp³ carbons (Fsp3)

1

H-bond donors

0 computed here · PubChem 1

H-bond acceptors

1

Rotatable bonds

1

TPSA (Ų)

9.2 computed here · PubChem 20.2

Formal charge

0

Complexity

81 PubChem

Stereocenters

None

Double-bond geometry

None specified

Elemental analysis

• C54.90%
• H11.52%
• *0.00%
• O12.19%
• Si21.40%

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

2.47 Crippen (Wildman and Crippen 1999)

log S (water solubility)

-2.15 ESOL (Delaney 2004), log mol/L

Synthetic accessibility

3.76 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

• Molecular weight ≤ 500: 131.27
• log P ≤ 5 (Crippen): 2.47
• H-bond donors ≤ 5: 0
• H-bond acceptors ≤ 10: 1

Passes all four rules.

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

Safety

Safety data sheets on the supplier’s page: BOC Sciences, Key Organics/BIONET, Alfa Chemistry.

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

Spectra

• 1H NMRSpectraBase
• 13C NMRSpectraBase
• GC-MSMassBank of North America (MoNA) (JEOL JMS-D-3000 · EI-B · positive) · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · SpectraBase
• Other MSMassBank Europe (JEOL JMS-D-3000 · EI-B · POSITIVE)
• ATR-IRSpectraBase

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

Literature

Bioactivity

References

1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
2. [2]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
3. [3]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
4. [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
5. [5]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
6. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
7. ·Literature on PubChem

Data last updated 2026-10-14.

Related

More protecting groups

• Trityl ether
• Acetonide
• THP ether
• Benzyl ether
• TIPS ether
• Fmoc-protected amine
• Cbz-protected amine
• Boc-protected amine