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

C12H28O2Si — CID 45102972

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCO
InChIInChI=1S/C12H28O2Si/c1-10(8-9-13)11(2)14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3/t10-,11-/m0/s1
InChIKeyLCWJICTURMVATD-QWRGUYRKSA-N
MW232.44 g/mol
LogP3.42
Rot. Bonds5

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

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol (PubChem CID 45102972) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol
PubChem CID45102972
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCO
InChIInChI=1S/C12H28O2Si/c1-10(8-9-13)11(2)14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3/t10-,11-/m0/s1
InChIKeyLCWJICTURMVATD-QWRGUYRKSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.42
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

5-((Tert-butyldimethylsilyl)oxy)pentan-2-ol
CID 10998500
4-[(Tert-butyldimethylsilyl)oxy]-3-methylbutan-1-ol
CID 72951988
(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
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol
CID 10943958
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-1-ol
CID 11063919
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 15598231
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11579557
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentane-1,2-diol
CID 12164126

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol (CID 45102972) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCO.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol?
The InChIKey is LCWJICTURMVATD-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-10(8-9-13)11(2)14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol has a molecular weight of 232.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol is sourced from PubChem (CID 45102972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).