octadeca-1,3-dienylbenzene

C24H38 — CID 54155436

IUPACoctadeca-1,3-dienylbenzene
SMILESCCCCCCCCCCCCCCC=CC=Cc1ccccc1
InChIInChI=1S/C24H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h15-23H,2-14H2,1H3
InChIKeyOKSJCPCRPSSCHS-UHFFFAOYSA-N
MW326.57 g/mol
LogP8.35
Rot. Bonds15

About octadeca-1,3-dienylbenzene

octadeca-1,3-dienylbenzene (PubChem CID 54155436) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is octadeca-1,3-dienylbenzene.

Molecular Properties

Compound Nameoctadeca-1,3-dienylbenzene
PubChem CID54155436
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Nameoctadeca-1,3-dienylbenzene
SMILESCCCCCCCCCCCCCCC=CC=Cc1ccccc1
InChIInChI=1S/C24H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h15-23H,2-14H2,1H3
InChIKeyOKSJCPCRPSSCHS-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
CID 177413497
3-heptadeca-1,3,5-trienylphenol
CID 175776848
oct-1-enylbenzene;phosphoric acid
CID 159316508
(4E,6E)-7-phenylhepta-4,6-dien-1-ol
CID 134982496
(22E)-heptatetraconta-22,24-diene
CID 56629131
2-pentadeca-1,3,5-trienylbenzene-1,3-diol
CID 91476848
[(1E,3E,9E)-10-nitrodeca-1,3,9-trienyl]benzene
CID 101044529
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
(5E,7E)-hexadeca-5,7-diene
CID 13032294

Frequently Asked Questions

What is the IUPAC name of octadeca-1,3-dienylbenzene?
The IUPAC name of octadeca-1,3-dienylbenzene (CID 54155436) is octadeca-1,3-dienylbenzene.
What is the SMILES notation for octadeca-1,3-dienylbenzene?
The canonical SMILES for octadeca-1,3-dienylbenzene is CCCCCCCCCCCCCCC=CC=Cc1ccccc1.
What is the InChIKey of octadeca-1,3-dienylbenzene?
The InChIKey is OKSJCPCRPSSCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h15-23H,2-14H2,1H3.
What are the key properties of octadeca-1,3-dienylbenzene?
octadeca-1,3-dienylbenzene has a molecular weight of 326.57 g/mol, XLogP of 8.35, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-1,3-dienylbenzene is sourced from PubChem (CID 54155436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).