[(E)-hept-5-en-2-yl]benzene

C13H18 — CID 22172140

IUPAC[(E)-hept-5-en-2-yl]benzene
SMILESC/C=C/CCC(C)c1ccccc1
InChIInChI=1S/C13H18/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h3-5,7-8,10-12H,6,9H2,1-2H3/b4-3+
InChIKeyKPNLFQFVZPTZGH-ONEGZZNKSA-N
MW174.29 g/mol
LogP4.15
Rot. Bonds4

About [(E)-hept-5-en-2-yl]benzene

[(E)-hept-5-en-2-yl]benzene (PubChem CID 22172140) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(E)-hept-5-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-hept-5-en-2-yl]benzene
PubChem CID22172140
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(E)-hept-5-en-2-yl]benzene
SMILESC/C=C/CCC(C)c1ccccc1
InChIInChI=1S/C13H18/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h3-5,7-8,10-12H,6,9H2,1-2H3/b4-3+
InChIKeyKPNLFQFVZPTZGH-ONEGZZNKSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-hept-5-en-2-yl]phenol
CID 143064321
pentan-2-ylbenzene
CID 17627
2-hept-5-en-2-ylphenol
CID 151668072
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
CID 58843288
(E)-2-ethyl-8-phenylnon-4-enenitrile;methane
CID 160671752
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
CID 91009695
4-chlorobutan-2-ylbenzene
CID 570466
trichloro(3-phenylbutyl)silane
CID 12887571
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111587778
5-chloropentan-2-ylbenzene
CID 524354

Frequently Asked Questions

What is the IUPAC name of [(E)-hept-5-en-2-yl]benzene?
The IUPAC name of [(E)-hept-5-en-2-yl]benzene (CID 22172140) is [(E)-hept-5-en-2-yl]benzene.
What is the SMILES notation for [(E)-hept-5-en-2-yl]benzene?
The canonical SMILES for [(E)-hept-5-en-2-yl]benzene is C/C=C/CCC(C)c1ccccc1.
What is the InChIKey of [(E)-hept-5-en-2-yl]benzene?
The InChIKey is KPNLFQFVZPTZGH-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H18/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h3-5,7-8,10-12H,6,9H2,1-2H3/b4-3+.
What are the key properties of [(E)-hept-5-en-2-yl]benzene?
[(E)-hept-5-en-2-yl]benzene has a molecular weight of 174.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-5-en-2-yl]benzene is sourced from PubChem (CID 22172140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).