1-cyclohexylpenta-1,3-dienylcyclohexane;phenol

C23H34O — CID 163535373

IUPAC1-cyclohexylpenta-1,3-dienylcyclohexane;phenol
SMILESCC=CC=C(C1CCCCC1)C1CCCCC1.Oc1ccccc1
InChIInChI=1S/C17H28.C6H6O/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;7-6-4-2-1-3-5-6/h2-3,14-16H,4-13H2,1H3;1-5,7H
InChIKeyDWMSGJCAVHKMPU-UHFFFAOYSA-N
MW326.52 g/mol
LogP7.04
Rot. Bonds3

About 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol

1-cyclohexylpenta-1,3-dienylcyclohexane;phenol (PubChem CID 163535373) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol.

Molecular Properties

Compound Name1-cyclohexylpenta-1,3-dienylcyclohexane;phenol
PubChem CID163535373
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name1-cyclohexylpenta-1,3-dienylcyclohexane;phenol
SMILESCC=CC=C(C1CCCCC1)C1CCCCC1.Oc1ccccc1
InChIInChI=1S/C17H28.C6H6O/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;7-6-4-2-1-3-5-6/h2-3,14-16H,4-13H2,1H3;1-5,7H
InChIKeyDWMSGJCAVHKMPU-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol?
The IUPAC name of 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol (CID 163535373) is 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol.
What is the SMILES notation for 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol?
The canonical SMILES for 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol is CC=CC=C(C1CCCCC1)C1CCCCC1.Oc1ccccc1.
What is the InChIKey of 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol?
The InChIKey is DWMSGJCAVHKMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28.C6H6O/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;7-6-4-2-1-3-5-6/h2-3,14-16H,4-13H2,1H3;1-5,7H.
What are the key properties of 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol?
1-cyclohexylpenta-1,3-dienylcyclohexane;phenol has a molecular weight of 326.52 g/mol, XLogP of 7.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpenta-1,3-dienylcyclohexane;phenol is sourced from PubChem (CID 163535373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).