1-hepta-1,2-dienylcyclohexan-1-ol

C13H22O — CID 10921418

IUPAC1-hepta-1,2-dienylcyclohexan-1-ol
SMILESCCCCC=C=CC1(O)CCCCC1
InChIInChI=1S/C13H22O/c1-2-3-4-5-7-10-13(14)11-8-6-9-12-13/h5,10,14H,2-4,6,8-9,11-12H2,1H3
InChIKeyOTSJEUQDKJMBAE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.58
Rot. Bonds4

About 1-hepta-1,2-dienylcyclohexan-1-ol

1-hepta-1,2-dienylcyclohexan-1-ol (PubChem CID 10921418) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-hepta-1,2-dienylcyclohexan-1-ol.

Molecular Properties

Compound Name1-hepta-1,2-dienylcyclohexan-1-ol
PubChem CID10921418
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-hepta-1,2-dienylcyclohexan-1-ol
SMILESCCCCC=C=CC1(O)CCCCC1
InChIInChI=1S/C13H22O/c1-2-3-4-5-7-10-13(14)11-8-6-9-12-13/h5,10,14H,2-4,6,8-9,11-12H2,1H3
InChIKeyOTSJEUQDKJMBAE-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hepta-1,2-dienylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,2-dienylcyclohexan-1-ol?
The IUPAC name of 1-hepta-1,2-dienylcyclohexan-1-ol (CID 10921418) is 1-hepta-1,2-dienylcyclohexan-1-ol.
What is the SMILES notation for 1-hepta-1,2-dienylcyclohexan-1-ol?
The canonical SMILES for 1-hepta-1,2-dienylcyclohexan-1-ol is CCCCC=C=CC1(O)CCCCC1.
What is the InChIKey of 1-hepta-1,2-dienylcyclohexan-1-ol?
The InChIKey is OTSJEUQDKJMBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-4-5-7-10-13(14)11-8-6-9-12-13/h5,10,14H,2-4,6,8-9,11-12H2,1H3.
What are the key properties of 1-hepta-1,2-dienylcyclohexan-1-ol?
1-hepta-1,2-dienylcyclohexan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,2-dienylcyclohexan-1-ol is sourced from PubChem (CID 10921418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).