trideca-1,2-dienylbenzene

C19H28 — CID 12769944

IUPACtrideca-1,2-dienylbenzene
SMILESCCCCCCCCCCC=C=Cc1ccccc1
InChIInChI=1S/C19H28/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h11-12,14-18H,2-10H2,1H3
InChIKeyFQSWPSSVRSSRIU-UHFFFAOYSA-N
MW256.43 g/mol
LogP6.39
Rot. Bonds10

About trideca-1,2-dienylbenzene

trideca-1,2-dienylbenzene (PubChem CID 12769944) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is trideca-1,2-dienylbenzene.

Molecular Properties

Compound Nametrideca-1,2-dienylbenzene
PubChem CID12769944
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Nametrideca-1,2-dienylbenzene
SMILESCCCCCCCCCCC=C=Cc1ccccc1
InChIInChI=1S/C19H28/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h11-12,14-18H,2-10H2,1H3
InChIKeyFQSWPSSVRSSRIU-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trideca-1,2-dienylbenzene 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

octa-1,2-dienylbenzene
CID 12066892
3-octa-1,2-dienylpyridine
CID 176725805
pentacosa-12,13-diene
CID 174365678
[(E)-octadec-1-enyl]benzene
CID 22722345
octadeca-5,6-diene
CID 141110817
2-phenyldeca-3,4-dien-2-ol
CID 10988074
[octa-1,2-dienyl(phenyl)phosphoryl]benzene
CID 25111722
trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane
CID 11594368
1-fluoronona-1,2-dienylbenzene
CID 174565883
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
octadeca-1,3-dienylbenzene
CID 54155436
dodeca-3,4-diene
CID 91492112

Frequently Asked Questions

What is the IUPAC name of trideca-1,2-dienylbenzene?
The IUPAC name of trideca-1,2-dienylbenzene (CID 12769944) is trideca-1,2-dienylbenzene.
What is the SMILES notation for trideca-1,2-dienylbenzene?
The canonical SMILES for trideca-1,2-dienylbenzene is CCCCCCCCCCC=C=Cc1ccccc1.
What is the InChIKey of trideca-1,2-dienylbenzene?
The InChIKey is FQSWPSSVRSSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h11-12,14-18H,2-10H2,1H3.
What are the key properties of trideca-1,2-dienylbenzene?
trideca-1,2-dienylbenzene has a molecular weight of 256.43 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-1,2-dienylbenzene is sourced from PubChem (CID 12769944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).