[(E)-octadec-1-enyl]benzene

C24H40 — CID 22722345

IUPAC[(E)-octadec-1-enyl]benzene
SMILESCCCCCCCCCCCCCCCC/C=C/c1ccccc1
InChIInChI=1S/C24H40/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/h17-23H,2-16H2,1H3/b21-18+
InChIKeyUPQAWYUBPIKODR-DYTRJAOYSA-N
MW328.58 g/mol
LogP8.57
Rot. Bonds16

About [(E)-octadec-1-enyl]benzene

[(E)-octadec-1-enyl]benzene (PubChem CID 22722345) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is [(E)-octadec-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-octadec-1-enyl]benzene
PubChem CID22722345
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name[(E)-octadec-1-enyl]benzene
SMILESCCCCCCCCCCCCCCCC/C=C/c1ccccc1
InChIInChI=1S/C24H40/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/h17-23H,2-16H2,1H3/b21-18+
InChIKeyUPQAWYUBPIKODR-DYTRJAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-octadec-1-enyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

oct-1-enylbenzene;phosphoric acid
CID 159316508
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
hex-1-enylbenzene;prop-1-ene
CID 157442084
6-chlorododec-1-enylbenzene
CID 150262306
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
6-bromododec-1-enylbenzene
CID 158445223
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
CID 177413497
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
(E)-9-phenylnon-8-en-1-ol
CID 10489025

Frequently Asked Questions

What is the IUPAC name of [(E)-octadec-1-enyl]benzene?
The IUPAC name of [(E)-octadec-1-enyl]benzene (CID 22722345) is [(E)-octadec-1-enyl]benzene.
What is the SMILES notation for [(E)-octadec-1-enyl]benzene?
The canonical SMILES for [(E)-octadec-1-enyl]benzene is CCCCCCCCCCCCCCCC/C=C/c1ccccc1.
What is the InChIKey of [(E)-octadec-1-enyl]benzene?
The InChIKey is UPQAWYUBPIKODR-DYTRJAOYSA-N. The full InChI is InChI=1S/C24H40/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/h17-23H,2-16H2,1H3/b21-18+.
What are the key properties of [(E)-octadec-1-enyl]benzene?
[(E)-octadec-1-enyl]benzene has a molecular weight of 328.58 g/mol, XLogP of 8.57, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-octadec-1-enyl]benzene is sourced from PubChem (CID 22722345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).