dodec-4-enylbenzene

C18H28 — CID 54018856

IUPACdodec-4-enylbenzene
SMILESCCCCCCCC=CCCCc1ccccc1
InChIInChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h8-9,11,13-14,16-17H,2-7,10,12,15H2,1H3
InChIKeyGAZYLUXXZMUNFP-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.93
Rot. Bonds10

About dodec-4-enylbenzene

dodec-4-enylbenzene (PubChem CID 54018856) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is dodec-4-enylbenzene.

Molecular Properties

Compound Namedodec-4-enylbenzene
PubChem CID54018856
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Namedodec-4-enylbenzene
SMILESCCCCCCCC=CCCCc1ccccc1
InChIInChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h8-9,11,13-14,16-17H,2-7,10,12,15H2,1H3
InChIKeyGAZYLUXXZMUNFP-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.93
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

heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
nonadec-10-enylbenzene
CID 54264053
[(8E,11E)-pentadeca-8,11-dienyl]benzene
CID 173434381
4-[(E)-nonadec-10-enyl]-1-(6-phenylhexyl)pyridin-1-ium
CID 10185609
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
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 dodec-4-enylbenzene?
The IUPAC name of dodec-4-enylbenzene (CID 54018856) is dodec-4-enylbenzene.
What is the SMILES notation for dodec-4-enylbenzene?
The canonical SMILES for dodec-4-enylbenzene is CCCCCCCC=CCCCc1ccccc1.
What is the InChIKey of dodec-4-enylbenzene?
The InChIKey is GAZYLUXXZMUNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h8-9,11,13-14,16-17H,2-7,10,12,15H2,1H3.
What are the key properties of dodec-4-enylbenzene?
dodec-4-enylbenzene has a molecular weight of 244.42 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-4-enylbenzene is sourced from PubChem (CID 54018856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).