[(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene

C24H36 — CID 164787659

IUPAC[(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene
SMILESC=CC(CC/C=C/CCCCC)CC(C/C=C/C)c1ccccc1
InChIInChI=1S/C24H36/c1-4-7-9-10-11-12-14-17-22(6-3)21-24(18-8-5-2)23-19-15-13-16-20-23/h5-6,8,11-13,15-16,19-20,22,24H,3-4,7,9-10,14,17-18,21H2,1-2H3/b8-5+,12-11+
InChIKeyLCMREEXSFYKKMR-CQYWEGEGSA-N
MW324.55 g/mol
LogP7.85
Rot. Bonds13

About [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene

[(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene (PubChem CID 164787659) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene.

Molecular Properties

Compound Name[(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene
PubChem CID164787659
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name[(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene
SMILESC=CC(CC/C=C/CCCCC)CC(C/C=C/C)c1ccccc1
InChIInChI=1S/C24H36/c1-4-7-9-10-11-12-14-17-22(6-3)21-24(18-8-5-2)23-19-15-13-16-20-23/h5-6,8,11-13,15-16,19-20,22,24H,3-4,7,9-10,14,17-18,21H2,1-2H3/b8-5+,12-11+
InChIKeyLCMREEXSFYKKMR-CQYWEGEGSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.85
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 [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]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

heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
tetradec-13-en-7-ylbenzene
CID 140694824
3-(6-ethenyl-2,12-diphenyltetradec-9-en-4-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 170686978
4-propan-2-ylicosa-1,11-dien-3-ylbenzene
CID 91342384
oct-1-en-4-ylbenzene
CID 22247233
CID 58843291
CID 58843291
(5R)-7-phenyldec-9-en-5-ol
CID 134965025
(E,3R)-3-phenylhept-5-enal
CID 102328928
(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
CID 173200761
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462

Frequently Asked Questions

What is the IUPAC name of [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene?
The IUPAC name of [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene (CID 164787659) is [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene.
What is the SMILES notation for [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene?
The canonical SMILES for [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene is C=CC(CC/C=C/CCCCC)CC(C/C=C/C)c1ccccc1.
What is the InChIKey of [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene?
The InChIKey is LCMREEXSFYKKMR-CQYWEGEGSA-N. The full InChI is InChI=1S/C24H36/c1-4-7-9-10-11-12-14-17-22(6-3)21-24(18-8-5-2)23-19-15-13-16-20-23/h5-6,8,11-13,15-16,19-20,22,24H,3-4,7,9-10,14,17-18,21H2,1-2H3/b8-5+,12-11+.
What are the key properties of [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene?
[(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene has a molecular weight of 324.55 g/mol, XLogP of 7.85, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,10E)-7-ethenylhexadeca-2,10-dien-5-yl]benzene is sourced from PubChem (CID 164787659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).