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

C17H34O2Si — CID 134901060

IUPAC(E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol
SMILESC/C=C/C(O)[C@]1([Si](C)(C)C)O[C@H]1CCCCCCCC
InChIInChI=1S/C17H34O2Si/c1-6-8-9-10-11-12-14-16-17(19-16,20(3,4)5)15(18)13-7-2/h7,13,15-16,18H,6,8-12,14H2,1-5H3/b13-7+/t15?,16-,17+/m0/s1
InChIKeyFDBVJYITKPUEFN-GFXVJPQFSA-N
MW298.54 g/mol
LogP4.69
Rot. Bonds10

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

(E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol (PubChem CID 134901060) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol
PubChem CID134901060
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol
SMILESC/C=C/C(O)[C@]1([Si](C)(C)C)O[C@H]1CCCCCCCC
InChIInChI=1S/C17H34O2Si/c1-6-8-9-10-11-12-14-16-17(19-16,20(3,4)5)15(18)13-7-2/h7,13,15-16,18H,6,8-12,14H2,1-5H3/b13-7+/t15?,16-,17+/m0/s1
InChIKeyFDBVJYITKPUEFN-GFXVJPQFSA-N
XLogP4.69
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 12186177
(2S)-3-[(E)-6-hydroxyhexadec-4-enoxy]propane-1,2-diol
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Ceratodictyol
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14-(2-Hydroxyethoxy)tetradec-2-en-4-ol
CID 57035567
[3-[(Z)-octadec-9-enyl]oxiran-2-yl]methanol
CID 87759271
(Z)-4-[(Z)-octadec-9-enoxy]-21-trimethylsilylhenicos-12-ene-1,2-diol
CID 89388882
(11Z,14Z)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol
CID 140750200
1-[2-[Tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol
CID 154344626
[(2R,3R)-3-butyloxiran-2-yl]methanol;(E)-hept-2-en-1-ol
CID 161006009
(E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol?
The IUPAC name of (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol (CID 134901060) is (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol.
What is the SMILES notation for (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol?
The canonical SMILES for (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol is C/C=C/C(O)[C@]1([Si](C)(C)C)O[C@H]1CCCCCCCC.
What is the InChIKey of (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol?
The InChIKey is FDBVJYITKPUEFN-GFXVJPQFSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-6-8-9-10-11-12-14-16-17(19-16,20(3,4)5)15(18)13-7-2/h7,13,15-16,18H,6,8-12,14H2,1-5H3/b13-7+/t15?,16-,17+/m0/s1.
What are the key properties of (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol?
(E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol is sourced from PubChem (CID 134901060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).