(3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol

C19H44O3Si2 — CID 87813816

IUPAC(3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
SMILESCC(CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h15-17,20H,13-14H2,1-12H3/t15?,16-,17-/m0/s1
InChIKeyKKIRRYAMSYGFBP-BSOSBYQFSA-N
MW376.73 g/mol
LogP5.66
Rot. Bonds8

About (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol

(3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol (PubChem CID 87813816) has the molecular formula C19H44O3Si2 and a molecular weight of 376.73 g/mol. Its IUPAC name is (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name(3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
PubChem CID87813816
Molecular FormulaC19H44O3Si2
Molecular Weight376.73 g/mol
Exact Mass376.28
IUPAC Name(3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
SMILESCC(CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h15-17,20H,13-14H2,1-12H3/t15?,16-,17-/m0/s1
InChIKeyKKIRRYAMSYGFBP-BSOSBYQFSA-N
XLogP5.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.73
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
The IUPAC name of (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol (CID 87813816) is (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol.
What is the SMILES notation for (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
The canonical SMILES for (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol is CC(CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
The InChIKey is KKIRRYAMSYGFBP-BSOSBYQFSA-N. The full InChI is InChI=1S/C19H44O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h15-17,20H,13-14H2,1-12H3/t15?,16-,17-/m0/s1.
What are the key properties of (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol?
(3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol has a molecular weight of 376.73 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 87813816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).