octadec-3-en-2-ylbenzene

C24H40 — CID 140717946

IUPACoctadec-3-en-2-ylbenzene
SMILESCCCCCCCCCCCCCCC=CC(C)c1ccccc1
InChIInChI=1S/C24H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)24-21-18-16-19-22-24/h16-23H,3-15H2,1-2H3
InChIKeyYRVXRGCGVGAVHZ-UHFFFAOYSA-N
MW328.58 g/mol
LogP8.44
Rot. Bonds15

About octadec-3-en-2-ylbenzene

octadec-3-en-2-ylbenzene (PubChem CID 140717946) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is octadec-3-en-2-ylbenzene.

Molecular Properties

Compound Nameoctadec-3-en-2-ylbenzene
PubChem CID140717946
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Nameoctadec-3-en-2-ylbenzene
SMILESCCCCCCCCCCCCCCC=CC(C)c1ccccc1
InChIInChI=1S/C24H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)24-21-18-16-19-22-24/h16-23H,3-15H2,1-2H3
InChIKeyYRVXRGCGVGAVHZ-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze octadec-3-en-2-ylbenzene 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

dodec-3-en-2-ylbenzene
CID 140717956
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(E)-1-phenyloct-2-en-1-ol
CID 10822082
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
CID 101491741
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371
(E,2S,3S)-2-(benzhydrylideneamino)octadec-4-en-3-ol
CID 10366367
(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 11821614
(Z)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 102600669

Frequently Asked Questions

What is the IUPAC name of octadec-3-en-2-ylbenzene?
The IUPAC name of octadec-3-en-2-ylbenzene (CID 140717946) is octadec-3-en-2-ylbenzene.
What is the SMILES notation for octadec-3-en-2-ylbenzene?
The canonical SMILES for octadec-3-en-2-ylbenzene is CCCCCCCCCCCCCCC=CC(C)c1ccccc1.
What is the InChIKey of octadec-3-en-2-ylbenzene?
The InChIKey is YRVXRGCGVGAVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)24-21-18-16-19-22-24/h16-23H,3-15H2,1-2H3.
What are the key properties of octadec-3-en-2-ylbenzene?
octadec-3-en-2-ylbenzene has a molecular weight of 328.58 g/mol, XLogP of 8.44, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-3-en-2-ylbenzene is sourced from PubChem (CID 140717946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).