[(E)-oct-6-enyl]benzene;prop-1-ene

C17H26 — CID 142802377

IUPAC[(E)-oct-6-enyl]benzene;prop-1-ene
SMILESC/C=C/CCCCCc1ccccc1.C=CC
InChIInChI=1S/C14H20.C3H6/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-2/h2-3,7,9-10,12-13H,4-6,8,11H2,1H3;3H,1H2,2H3/b3-2+;
InChIKeyQFFZUWMXGIQZGX-SQQVDAMQSA-N
MW230.39 g/mol
LogP5.56
Rot. Bonds6

About [(E)-oct-6-enyl]benzene;prop-1-ene

[(E)-oct-6-enyl]benzene;prop-1-ene (PubChem CID 142802377) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is [(E)-oct-6-enyl]benzene;prop-1-ene.

Molecular Properties

Compound Name[(E)-oct-6-enyl]benzene;prop-1-ene
PubChem CID142802377
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name[(E)-oct-6-enyl]benzene;prop-1-ene
SMILESC/C=C/CCCCCc1ccccc1.C=CC
InChIInChI=1S/C14H20.C3H6/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-2/h2-3,7,9-10,12-13H,4-6,8,11H2,1H3;3H,1H2,2H3/b3-2+;
InChIKeyQFFZUWMXGIQZGX-SQQVDAMQSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.56
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

hept-6-enylbenzene
CID 15608161
pent-3-enylbenzene
CID 519421
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
1-hex-4-enyl-4-phenylbenzene
CID 174423294
[(8E,11E)-pentadeca-8,11-dienyl]benzene
CID 173434381
4-dec-8-enylbenzoic acid
CID 151842838
dodec-4-enylbenzene
CID 54018856
4-hept-5-enylphenol
CID 66787200
heptadec-4-enylbenzene
CID 173163087
[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid
CID 144534534
but-2-enylbenzene;prop-1-ene
CID 159250462

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-6-enyl]benzene;prop-1-ene?
The IUPAC name of [(E)-oct-6-enyl]benzene;prop-1-ene (CID 142802377) is [(E)-oct-6-enyl]benzene;prop-1-ene.
What is the SMILES notation for [(E)-oct-6-enyl]benzene;prop-1-ene?
The canonical SMILES for [(E)-oct-6-enyl]benzene;prop-1-ene is C/C=C/CCCCCc1ccccc1.C=CC.
What is the InChIKey of [(E)-oct-6-enyl]benzene;prop-1-ene?
The InChIKey is QFFZUWMXGIQZGX-SQQVDAMQSA-N. The full InChI is InChI=1S/C14H20.C3H6/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-2/h2-3,7,9-10,12-13H,4-6,8,11H2,1H3;3H,1H2,2H3/b3-2+;.
What are the key properties of [(E)-oct-6-enyl]benzene;prop-1-ene?
[(E)-oct-6-enyl]benzene;prop-1-ene has a molecular weight of 230.39 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-6-enyl]benzene;prop-1-ene is sourced from PubChem (CID 142802377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).