heptadec-4-enylbenzene

C23H38 — CID 173163087

IUPACheptadec-4-enylbenzene
SMILESCCCCCCCCCCCCC=CCCCc1ccccc1
InChIInChI=1S/C23H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h13-14,16,18-19,21-22H,2-12,15,17,20H2,1H3
InChIKeyXOIOSZNYWSAONX-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.88
Rot. Bonds15

About heptadec-4-enylbenzene

heptadec-4-enylbenzene (PubChem CID 173163087) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is heptadec-4-enylbenzene.

Molecular Properties

Compound Nameheptadec-4-enylbenzene
PubChem CID173163087
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Nameheptadec-4-enylbenzene
SMILESCCCCCCCCCCCCC=CCCCc1ccccc1
InChIInChI=1S/C23H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h13-14,16,18-19,21-22H,2-12,15,17,20H2,1H3
InChIKeyXOIOSZNYWSAONX-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.88
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'}

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Related Compounds

dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
[(8E,11E)-pentadeca-8,11-dienyl]benzene
CID 173434381
4-[(E)-nonadec-10-enyl]-1-(6-phenylhexyl)pyridin-1-ium
CID 10185609
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
1-benzyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium
CID 10274593
[(E)-oct-2-enyl]benzene
CID 13383320

Frequently Asked Questions

What is the IUPAC name of heptadec-4-enylbenzene?
The IUPAC name of heptadec-4-enylbenzene (CID 173163087) is heptadec-4-enylbenzene.
What is the SMILES notation for heptadec-4-enylbenzene?
The canonical SMILES for heptadec-4-enylbenzene is CCCCCCCCCCCCC=CCCCc1ccccc1.
What is the InChIKey of heptadec-4-enylbenzene?
The InChIKey is XOIOSZNYWSAONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h13-14,16,18-19,21-22H,2-12,15,17,20H2,1H3.
What are the key properties of heptadec-4-enylbenzene?
heptadec-4-enylbenzene has a molecular weight of 314.56 g/mol, XLogP of 7.88, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-4-enylbenzene is sourced from PubChem (CID 173163087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).