[(E)-hept-2-en-3-yl]benzene

C13H18 — CID 14568345

IUPAC[(E)-hept-2-en-3-yl]benzene
SMILESC/C=C(\CCCC)c1ccccc1
InChIInChI=1S/C13H18/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,6-8,10-11H,3,5,9H2,1-2H3/b12-4+
InChIKeyHXGKHRNEYGJFPR-UUILKARUSA-N
MW174.29 g/mol
LogP4.28
Rot. Bonds4

About [(E)-hept-2-en-3-yl]benzene

[(E)-hept-2-en-3-yl]benzene (PubChem CID 14568345) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(E)-hept-2-en-3-yl]benzene.

Molecular Properties

Compound Name[(E)-hept-2-en-3-yl]benzene
PubChem CID14568345
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(E)-hept-2-en-3-yl]benzene
SMILESC/C=C(\CCCC)c1ccccc1
InChIInChI=1S/C13H18/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,6-8,10-11H,3,5,9H2,1-2H3/b12-4+
InChIKeyHXGKHRNEYGJFPR-UUILKARUSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
CID 138974661
[(Z)-non-3-en-4-yl]benzene
CID 101008148
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
CID 173389416
4-phenylhex-4-enoic acid
CID 67746450
[(Z)-1-methoxytridec-1-en-2-yl]benzene
CID 101375240
ethane;1-phenylpentan-1-one
CID 143728184
1-bromo-4-non-2-en-3-ylbenzene
CID 150309996
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
1,1-diphenylhept-1-en-3-one
CID 69091035
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246

Frequently Asked Questions

What is the IUPAC name of [(E)-hept-2-en-3-yl]benzene?
The IUPAC name of [(E)-hept-2-en-3-yl]benzene (CID 14568345) is [(E)-hept-2-en-3-yl]benzene.
What is the SMILES notation for [(E)-hept-2-en-3-yl]benzene?
The canonical SMILES for [(E)-hept-2-en-3-yl]benzene is C/C=C(\CCCC)c1ccccc1.
What is the InChIKey of [(E)-hept-2-en-3-yl]benzene?
The InChIKey is HXGKHRNEYGJFPR-UUILKARUSA-N. The full InChI is InChI=1S/C13H18/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,6-8,10-11H,3,5,9H2,1-2H3/b12-4+.
What are the key properties of [(E)-hept-2-en-3-yl]benzene?
[(E)-hept-2-en-3-yl]benzene has a molecular weight of 174.29 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-2-en-3-yl]benzene is sourced from PubChem (CID 14568345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).