[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol

C9H16O2 — CID 14039813

IUPAC[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol
SMILESC/C=C/CC(C)C1OC1CO
InChIInChI=1S/C9H16O2/c1-3-4-5-7(2)9-8(6-10)11-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyAILNKBOKNJQZRS-ONEGZZNKSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds4

About [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol

[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol (PubChem CID 14039813) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol
PubChem CID14039813
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol
SMILESC/C=C/CC(C)C1OC1CO
InChIInChI=1S/C9H16O2/c1-3-4-5-7(2)9-8(6-10)11-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyAILNKBOKNJQZRS-ONEGZZNKSA-N
XLogP1.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,10-Dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
CID 75987722
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
Linalool oxide (5-ring)
CID 102611
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994
[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 11116488
(2R,3S,4S)-2-[(E)-but-2-enyl]pentane-1,3,4-triol
CID 168289251
(1R,2R,4E,8E,11S)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-2-ol
CID 162877820
1,2-Oxidolinalool
CID 44144481
2,3-Epoxy-3,7,11-trimethyl-6,10-dodecadienol
CID 72770693
[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10986703
(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol
CID 10241264

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol (CID 14039813) is [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol is C/C=C/CC(C)C1OC1CO.
What is the InChIKey of [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol?
The InChIKey is AILNKBOKNJQZRS-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-7(2)9-8(6-10)11-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+.
What are the key properties of [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol?
[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 14039813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).