(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol

C12H18O — CID 10559238

IUPAC(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
SMILESCC(C)(O)/C=C/CC1C=CC=CC1
InChIInChI=1S/C12H18O/c1-12(2,13)10-6-9-11-7-4-3-5-8-11/h3-7,10-11,13H,8-9H2,1-2H3/b10-6+
InChIKeyWHDMEIDJDHIICJ-UXBLZVDNSA-N
MW178.27 g/mol
LogP2.84
Rot. Bonds3

About (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol

(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol (PubChem CID 10559238) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
PubChem CID10559238
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
SMILESCC(C)(O)/C=C/CC1C=CC=CC1
InChIInChI=1S/C12H18O/c1-12(2,13)10-6-9-11-7-4-3-5-8-11/h3-7,10-11,13H,8-9H2,1-2H3/b10-6+
InChIKeyWHDMEIDJDHIICJ-UXBLZVDNSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
CID 163780403
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018
1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbutan-2-one
CID 12828212
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
5-propylcyclohexa-1,3-diene
CID 13212987
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
CID 90695649
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene
CID 163514556

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol?
The IUPAC name of (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol (CID 10559238) is (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol.
What is the SMILES notation for (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol?
The canonical SMILES for (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol is CC(C)(O)/C=C/CC1C=CC=CC1.
What is the InChIKey of (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol?
The InChIKey is WHDMEIDJDHIICJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H18O/c1-12(2,13)10-6-9-11-7-4-3-5-8-11/h3-7,10-11,13H,8-9H2,1-2H3/b10-6+.
What are the key properties of (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol?
(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol is sourced from PubChem (CID 10559238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).