[(E)-oct-2-enyl]benzene

C14H20 — CID 13383320

IUPAC[(E)-oct-2-enyl]benzene
SMILESCCCCC/C=C/Cc1ccccc1
InChIInChI=1S/C14H20/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6-10,12-13H,2-5,11H2,1H3/b8-6+
InChIKeyJRVGEBQVFIWWSO-SOFGYWHQSA-N
MW188.31 g/mol
LogP4.37
Rot. Bonds6

About [(E)-oct-2-enyl]benzene

[(E)-oct-2-enyl]benzene (PubChem CID 13383320) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is [(E)-oct-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-oct-2-enyl]benzene
PubChem CID13383320
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name[(E)-oct-2-enyl]benzene
SMILESCCCCC/C=C/Cc1ccccc1
InChIInChI=1S/C14H20/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6-10,12-13H,2-5,11H2,1H3/b8-6+
InChIKeyJRVGEBQVFIWWSO-SOFGYWHQSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.37
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

ethoxyethane;[(E)-oct-2-enyl]benzene
CID 67924606
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
(Z)-octadec-9-en-1-amine;phenylmethanamine
CID 68964749
1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
CID 88540925
undec-4-enoxymethylbenzene
CID 158781580
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
1-[(E)-3-bromoprop-1-enyl]-4-[(Z)-oct-2-enyl]benzene
CID 67947553
[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene
CID 11373912

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-2-enyl]benzene?
The IUPAC name of [(E)-oct-2-enyl]benzene (CID 13383320) is [(E)-oct-2-enyl]benzene.
What is the SMILES notation for [(E)-oct-2-enyl]benzene?
The canonical SMILES for [(E)-oct-2-enyl]benzene is CCCCC/C=C/Cc1ccccc1.
What is the InChIKey of [(E)-oct-2-enyl]benzene?
The InChIKey is JRVGEBQVFIWWSO-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H20/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6-10,12-13H,2-5,11H2,1H3/b8-6+.
What are the key properties of [(E)-oct-2-enyl]benzene?
[(E)-oct-2-enyl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-2-enyl]benzene is sourced from PubChem (CID 13383320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).