1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol

C12H18O — CID 156633828

IUPAC1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol
SMILESC=CC(C)(O)C=CC1CC=CCC1
InChIInChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h3-5,9-11,13H,1,6-8H2,2H3
InChIKeyGVBPEMQMNYKNLB-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.84
Rot. Bonds3

About 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol

1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol (PubChem CID 156633828) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol
PubChem CID156633828
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol
SMILESC=CC(C)(O)C=CC1CC=CCC1
InChIInChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h3-5,9-11,13H,1,6-8H2,2H3
InChIKeyGVBPEMQMNYKNLB-UHFFFAOYSA-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

(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene
CID 125492551
4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)
CID 162256145
4-[(E)-but-1-enyl]cyclohexene
CID 21245549
N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide
CID 76599921
4-ethenylcyclohexene;hexa-1,5-diene
CID 18984285
4-[(E)-pent-1-enyl]cyclohexene
CID 127260693
4-pent-1-enylcyclohexene
CID 54361712
N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide
CID 59793407
4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine
CID 159158675
4-[(E)-hex-1-enyl]cyclohexene
CID 12808064
6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene
CID 131710320
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
CID 7809782

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol?
The IUPAC name of 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol (CID 156633828) is 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol is C=CC(C)(O)C=CC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol?
The InChIKey is GVBPEMQMNYKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h3-5,9-11,13H,1,6-8H2,2H3.
What are the key properties of 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol?
1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-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 1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol is sourced from PubChem (CID 156633828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).