(E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol

C8H16O2Si — CID 10953996

IUPAC(E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol
SMILESC[Si](C)(C)/C=C/[C@@H](O)[C@@H]1CO1
InChIInChI=1S/C8H16O2Si/c1-11(2,3)5-4-7(9)8-6-10-8/h4-5,7-9H,6H2,1-3H3/b5-4+/t7-,8+/m1/s1
InChIKeyYSPWGWLNAXCWKG-VWFQECGMSA-N
MW172.30 g/mol
LogP1.18
Rot. Bonds3

About (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol

(E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol (PubChem CID 10953996) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol
PubChem CID10953996
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name(E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol
SMILESC[Si](C)(C)/C=C/[C@@H](O)[C@@H]1CO1
InChIInChI=1S/C8H16O2Si/c1-11(2,3)5-4-7(9)8-6-10-8/h4-5,7-9H,6H2,1-3H3/b5-4+/t7-,8+/m1/s1
InChIKeyYSPWGWLNAXCWKG-VWFQECGMSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.18
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,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 53764004
(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol
CID 14185814
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
CID 57379881
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
CID 101564702
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol
CID 134836233
(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
(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 10657969
(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuran-3-ol
CID 10998822
(1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol
CID 88558827

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol?
The IUPAC name of (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol (CID 10953996) is (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol?
The canonical SMILES for (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol is C[Si](C)(C)/C=C/[C@@H](O)[C@@H]1CO1.
What is the InChIKey of (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol?
The InChIKey is YSPWGWLNAXCWKG-VWFQECGMSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-11(2,3)5-4-7(9)8-6-10-8/h4-5,7-9H,6H2,1-3H3/b5-4+/t7-,8+/m1/s1.
What are the key properties of (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol?
(E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol has a molecular weight of 172.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-en-1-ol is sourced from PubChem (CID 10953996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).