hept-6-enylbenzene

C13H18 — CID 15608161

IUPAChept-6-enylbenzene
SMILESC=CCCCCCc1ccccc1
InChIInChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,6,8-9,11-12H,1,3-5,7,10H2
InChIKeySAOCHKRLOYGISG-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.98
Rot. Bonds6

About hept-6-enylbenzene

hept-6-enylbenzene (PubChem CID 15608161) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is hept-6-enylbenzene.

Molecular Properties

Compound Namehept-6-enylbenzene
PubChem CID15608161
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Namehept-6-enylbenzene
SMILESC=CCCCCCc1ccccc1
InChIInChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,6,8-9,11-12H,1,3-5,7,10H2
InChIKeySAOCHKRLOYGISG-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.98
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

1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene
CID 132933253
but-3-enylbenzene;silver
CID 174999453
4-tetradec-13-enylphenol
CID 157380665
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-fluoro-4-non-8-enylbenzene
CID 57222789
1-decyl-4-hex-5-enylbenzene
CID 91529966
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
4-phenylbutylbenzene
CID 141301927
2-dodec-11-enylnaphthalene
CID 101307470
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
heptylbenzene
CID 91456779

Frequently Asked Questions

What is the IUPAC name of hept-6-enylbenzene?
The IUPAC name of hept-6-enylbenzene (CID 15608161) is hept-6-enylbenzene.
What is the SMILES notation for hept-6-enylbenzene?
The canonical SMILES for hept-6-enylbenzene is C=CCCCCCc1ccccc1.
What is the InChIKey of hept-6-enylbenzene?
The InChIKey is SAOCHKRLOYGISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,6,8-9,11-12H,1,3-5,7,10H2.
What are the key properties of hept-6-enylbenzene?
hept-6-enylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-enylbenzene is sourced from PubChem (CID 15608161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).