[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol

C10H22O2Si — CID 10932545

IUPAC[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol
SMILESCCCC[C@@H]1O[C@]1(CO)[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-5-6-7-9-10(8-11,12-9)13(2,3)4/h9,11H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyQLYOWOQZXARAAG-VHSXEESVSA-N
MW202.37 g/mol
LogP2.18
Rot. Bonds5

About [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol

[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol (PubChem CID 10932545) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol
PubChem CID10932545
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol
SMILESCCCC[C@@H]1O[C@]1(CO)[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-5-6-7-9-10(8-11,12-9)13(2,3)4/h9,11H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyQLYOWOQZXARAAG-VHSXEESVSA-N
XLogP2.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S-cis)-Epoxydecenol
CID 451586
(2R-cis)-Epoxydecenol
CID 3000234
(2S,3S)-3-pentyl-2-oxiranylmethanol
CID 10888033
Oxiranemethanol, 3-pentyl-
CID 11480511
[(2R,3R)-3-pentyloxiran-2-yl]methanol
CID 10855593
(2r,3s)-cis-2,3-Epoxyoctanol
CID 11344086
(2S-trans)-3-Nonyloxirane Methanol
CID 1712279
CID 10197900
CID 10197900
(3-Hexyloxiran-2-yl)methanol
CID 13428360
[(2S,3R)-3-decyloxiran-2-yl]methanol
CID 10878527
[(2R,3S)-3-decyloxiran-2-yl]methanol
CID 11458562
[(2R,3R)-3-hexyloxiran-2-yl]methanol
CID 10898969

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol (CID 10932545) is [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol is CCCC[C@@H]1O[C@]1(CO)[Si](C)(C)C.
What is the InChIKey of [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol?
The InChIKey is QLYOWOQZXARAAG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-6-7-9-10(8-11,12-9)13(2,3)4/h9,11H,5-8H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol?
[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol has a molecular weight of 202.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol is sourced from PubChem (CID 10932545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).