[(8E,11E)-pentadeca-8,11-dienyl]benzene

C21H32 — CID 173434381

IUPAC[(8E,11E)-pentadeca-8,11-dienyl]benzene
SMILESCCC/C=C/C/C=C/CCCCCCCc1ccccc1
InChIInChI=1S/C21H32/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h4-5,7-8,14,16-17,19-20H,2-3,6,9-13,15,18H2,1H3/b5-4+,8-7+
InChIKeyHODQGTOPKPIXBJ-AOSYACOCSA-N
MW284.49 g/mol
LogP6.87
Rot. Bonds12

About [(8E,11E)-pentadeca-8,11-dienyl]benzene

[(8E,11E)-pentadeca-8,11-dienyl]benzene (PubChem CID 173434381) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is [(8E,11E)-pentadeca-8,11-dienyl]benzene.

Molecular Properties

Compound Name[(8E,11E)-pentadeca-8,11-dienyl]benzene
PubChem CID173434381
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name[(8E,11E)-pentadeca-8,11-dienyl]benzene
SMILESCCC/C=C/C/C=C/CCCCCCCc1ccccc1
InChIInChI=1S/C21H32/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h4-5,7-8,14,16-17,19-20H,2-3,6,9-13,15,18H2,1H3/b5-4+,8-7+
InChIKeyHODQGTOPKPIXBJ-AOSYACOCSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.87
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 [(8E,11E)-pentadeca-8,11-dienyl]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

nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
dodec-4-enylbenzene
CID 54018856
4-[(E)-nonadec-10-enyl]-1-(6-phenylhexyl)pyridin-1-ium
CID 10185609
1-benzyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium
CID 10274593
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377

Frequently Asked Questions

What is the IUPAC name of [(8E,11E)-pentadeca-8,11-dienyl]benzene?
The IUPAC name of [(8E,11E)-pentadeca-8,11-dienyl]benzene (CID 173434381) is [(8E,11E)-pentadeca-8,11-dienyl]benzene.
What is the SMILES notation for [(8E,11E)-pentadeca-8,11-dienyl]benzene?
The canonical SMILES for [(8E,11E)-pentadeca-8,11-dienyl]benzene is CCC/C=C/C/C=C/CCCCCCCc1ccccc1.
What is the InChIKey of [(8E,11E)-pentadeca-8,11-dienyl]benzene?
The InChIKey is HODQGTOPKPIXBJ-AOSYACOCSA-N. The full InChI is InChI=1S/C21H32/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h4-5,7-8,14,16-17,19-20H,2-3,6,9-13,15,18H2,1H3/b5-4+,8-7+.
What are the key properties of [(8E,11E)-pentadeca-8,11-dienyl]benzene?
[(8E,11E)-pentadeca-8,11-dienyl]benzene has a molecular weight of 284.49 g/mol, XLogP of 6.87, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E,11E)-pentadeca-8,11-dienyl]benzene is sourced from PubChem (CID 173434381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).