[(1E,3E)-undeca-1,3-dienyl]benzene

C17H24 — CID 10633133

IUPAC[(1E,3E)-undeca-1,3-dienyl]benzene
SMILESCCCCCCC/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H24/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h8-16H,2-7H2,1H3/b9-8+,14-11+
InChIKeyXCQPKDKJXJIAKQ-HUKVCQRGSA-N
MW228.38 g/mol
LogP5.62
Rot. Bonds8

About [(1E,3E)-undeca-1,3-dienyl]benzene

[(1E,3E)-undeca-1,3-dienyl]benzene (PubChem CID 10633133) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is [(1E,3E)-undeca-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-undeca-1,3-dienyl]benzene
PubChem CID10633133
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name[(1E,3E)-undeca-1,3-dienyl]benzene
SMILESCCCCCCC/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H24/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h8-16H,2-7H2,1H3/b9-8+,14-11+
InChIKeyXCQPKDKJXJIAKQ-HUKVCQRGSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

octadeca-1,3-dienylbenzene
CID 54155436
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
CID 177413497
3-heptadeca-1,3,5-trienylphenol
CID 175776848
oct-1-enylbenzene;phosphoric acid
CID 159316508
(4E,6E)-7-phenylhepta-4,6-dien-1-ol
CID 134982496
(22E)-heptatetraconta-22,24-diene
CID 56629131
2-pentadeca-1,3,5-trienylbenzene-1,3-diol
CID 91476848
[(1E,3E,9E)-10-nitrodeca-1,3,9-trienyl]benzene
CID 101044529
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
(5E,7E)-hexadeca-5,7-diene
CID 13032294

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-undeca-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-undeca-1,3-dienyl]benzene (CID 10633133) is [(1E,3E)-undeca-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-undeca-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-undeca-1,3-dienyl]benzene is CCCCCCC/C=C/C=C/c1ccccc1.
What is the InChIKey of [(1E,3E)-undeca-1,3-dienyl]benzene?
The InChIKey is XCQPKDKJXJIAKQ-HUKVCQRGSA-N. The full InChI is InChI=1S/C17H24/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h8-16H,2-7H2,1H3/b9-8+,14-11+.
What are the key properties of [(1E,3E)-undeca-1,3-dienyl]benzene?
[(1E,3E)-undeca-1,3-dienyl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-undeca-1,3-dienyl]benzene is sourced from PubChem (CID 10633133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).