(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol

C9H18O2Si — CID 11106071

IUPAC(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
SMILESC=CC[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-5-6-7(10)8-9(11-8)12(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-/m0/s1
InChIKeyQFZPFIRYYKFDRH-CIUDSAMLSA-N
MW186.33 g/mol
LogP1.57
Rot. Bonds4

About (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol

(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol (PubChem CID 11106071) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
PubChem CID11106071
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
SMILESC=CC[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-5-6-7(10)8-9(11-8)12(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-/m0/s1
InChIKeyQFZPFIRYYKFDRH-CIUDSAMLSA-N
XLogP1.57
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol
CID 14185814
2-(5-Diethylmethylsilyl-2-oxapent-4-enyl)-1,4-dioxane
CID 129798647
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 138981692
(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138982240
(Z,1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161480
(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161578
Ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol
CID 87503518
Trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate
CID 158950519
3-(Oxiran-2-ylmethoxy)hex-5-en-2-ol
CID 174987723

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
The IUPAC name of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol (CID 11106071) is (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
The canonical SMILES for (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol is C=CC[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
The InChIKey is QFZPFIRYYKFDRH-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-5-6-7(10)8-9(11-8)12(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-/m0/s1.
What are the key properties of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol has a molecular weight of 186.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol is sourced from PubChem (CID 11106071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).