(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol

C11H26O2Si — CID 10943958

IUPAC(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol
SMILESC[C@@H](CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h10,12H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyDQTSYCMXYFOBLF-JTQLQIEISA-N
MW218.41 g/mol
LogP3.03
Rot. Bonds5

About (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol

(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol (PubChem CID 10943958) has the molecular formula C11H26O2Si and a molecular weight of 218.41 g/mol. Its IUPAC name is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol
PubChem CID10943958
Molecular FormulaC11H26O2Si
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol
SMILESC[C@@H](CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h10,12H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyDQTSYCMXYFOBLF-JTQLQIEISA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethyl-tert-butylsilyl)oxybutan-1-ol
CID 186403
(2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropan-1-ol
CID 10998135
(2S)-3-((tert-butyldimethylsilyl)oxy)-2-methylpropan-1-ol
CID 11735865
3-[(Tert-butyldimethylsilyl)oxy]-2-methylpropan-1-ol
CID 4652287
4-[(Tert-butyldimethylsilyl)oxy]-3-methylbutan-1-ol
CID 72951988
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol
CID 135041139
(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 10444620
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 13596692
(2S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylbutan-1-ol
CID 16050209
(cis-2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopropyl)methanol
CID 69296261
2-Methyl-1-butanol, 3-t-butyldimethylsilyloxy-
CID 554461
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-1-ol
CID 11063919

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol?
The IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol (CID 10943958) is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol.
What is the SMILES notation for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol?
The canonical SMILES for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol is C[C@@H](CCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol?
The InChIKey is DQTSYCMXYFOBLF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H26O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h10,12H,7-9H2,1-6H3/t10-/m0/s1.
What are the key properties of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol?
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol has a molecular weight of 218.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol is sourced from PubChem (CID 10943958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).