[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene

C24H36O — CID 177413497

IUPAC[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
SMILESCCCCCCCCCC/C=C\C=C/COC/C=C/c1ccccc1
InChIInChI=1S/C24H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-25-23-18-21-24-19-15-14-16-20-24/h11-21H,2-10,22-23H2,1H3/b12-11-,17-13-,21-18+
InChIKeyGEDFFNVSBALYPE-REILSBDYSA-N
MW340.55 g/mol
LogP7.36
Rot. Bonds15

About [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene

[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene (PubChem CID 177413497) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
PubChem CID177413497
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
SMILESCCCCCCCCCC/C=C\C=C/COC/C=C/c1ccccc1
InChIInChI=1S/C24H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-25-23-18-21-24-19-15-14-16-20-24/h11-21H,2-10,22-23H2,1H3/b12-11-,17-13-,21-18+
InChIKeyGEDFFNVSBALYPE-REILSBDYSA-N
XLogP7.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
[(E)-octadec-1-enyl]benzene
CID 22722345
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
oct-1-enylbenzene;phosphoric acid
CID 159316508
3-heptadeca-1,3,5-trienylphenol
CID 175776848
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
hex-1-enylbenzene;prop-1-ene
CID 157442084

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene (CID 177413497) is [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene is CCCCCCCCCC/C=C\C=C/COC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene?
The InChIKey is GEDFFNVSBALYPE-REILSBDYSA-N. The full InChI is InChI=1S/C24H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-25-23-18-21-24-19-15-14-16-20-24/h11-21H,2-10,22-23H2,1H3/b12-11-,17-13-,21-18+.
What are the key properties of [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene?
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene has a molecular weight of 340.55 g/mol, XLogP of 7.36, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene is sourced from PubChem (CID 177413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).