5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene

C20H24 — CID 91290814

IUPAC5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene
SMILESCC=CC=CCC(c1ccccc1)C1C=CC=CCC1
InChIInChI=1S/C20H24/c1-2-3-4-12-17-20(19-15-10-7-11-16-19)18-13-8-5-6-9-14-18/h2-8,10-13,15-16,18,20H,9,14,17H2,1H3
InChIKeyWVRMREFVXZUWIH-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.82
Rot. Bonds5

About 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene

5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene (PubChem CID 91290814) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene.

Molecular Properties

Compound Name5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene
PubChem CID91290814
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene
SMILESCC=CC=CCC(c1ccccc1)C1C=CC=CCC1
InChIInChI=1S/C20H24/c1-2-3-4-12-17-20(19-15-10-7-11-16-19)18-13-8-5-6-9-14-18/h2-8,10-13,15-16,18,20H,9,14,17H2,1H3
InChIKeyWVRMREFVXZUWIH-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
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2-cyclohexa-2,4-dien-1-yl-2-phenylacetonitrile
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(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene?
The IUPAC name of 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene (CID 91290814) is 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene.
What is the SMILES notation for 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene?
The canonical SMILES for 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene is CC=CC=CCC(c1ccccc1)C1C=CC=CCC1.
What is the InChIKey of 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene?
The InChIKey is WVRMREFVXZUWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-2-3-4-12-17-20(19-15-10-7-11-16-19)18-13-8-5-6-9-14-18/h2-8,10-13,15-16,18,20H,9,14,17H2,1H3.
What are the key properties of 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene?
5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene has a molecular weight of 264.41 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene is sourced from PubChem (CID 91290814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).