1-octadec-9-enyl-2-(2-phenylethenyl)benzene

C32H46 — CID 91146060

IUPAC1-octadec-9-enyl-2-(2-phenylethenyl)benzene
SMILESCCCCCCCCC=CCCCCCCCCc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C32H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-26-21-22-27-32(31)29-28-30-23-18-17-19-24-30/h9-10,17-19,21-24,26-29H,2-8,11-16,20,25H2,1H3
InChIKeyVSSWUUJXLXATBH-UHFFFAOYSA-N
MW430.72 g/mol
LogP10.44
Rot. Bonds18

About 1-octadec-9-enyl-2-(2-phenylethenyl)benzene

1-octadec-9-enyl-2-(2-phenylethenyl)benzene (PubChem CID 91146060) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 1-octadec-9-enyl-2-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-octadec-9-enyl-2-(2-phenylethenyl)benzene
PubChem CID91146060
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name1-octadec-9-enyl-2-(2-phenylethenyl)benzene
SMILESCCCCCCCCC=CCCCCCCCCc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C32H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-26-21-22-27-32(31)29-28-30-23-18-17-19-24-30/h9-10,17-19,21-24,26-29H,2-8,11-16,20,25H2,1H3
InChIKeyVSSWUUJXLXATBH-UHFFFAOYSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 510.44
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
CID 141453206
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447

Frequently Asked Questions

What is the IUPAC name of 1-octadec-9-enyl-2-(2-phenylethenyl)benzene?
The IUPAC name of 1-octadec-9-enyl-2-(2-phenylethenyl)benzene (CID 91146060) is 1-octadec-9-enyl-2-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-octadec-9-enyl-2-(2-phenylethenyl)benzene?
The canonical SMILES for 1-octadec-9-enyl-2-(2-phenylethenyl)benzene is CCCCCCCCC=CCCCCCCCCc1ccccc1C=Cc1ccccc1.
What is the InChIKey of 1-octadec-9-enyl-2-(2-phenylethenyl)benzene?
The InChIKey is VSSWUUJXLXATBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-26-21-22-27-32(31)29-28-30-23-18-17-19-24-30/h9-10,17-19,21-24,26-29H,2-8,11-16,20,25H2,1H3.
What are the key properties of 1-octadec-9-enyl-2-(2-phenylethenyl)benzene?
1-octadec-9-enyl-2-(2-phenylethenyl)benzene has a molecular weight of 430.72 g/mol, XLogP of 10.44, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-9-enyl-2-(2-phenylethenyl)benzene is sourced from PubChem (CID 91146060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).