[(E)-3-methylidenehex-4-enyl]benzene

C13H16 — CID 15074252

IUPAC[(E)-3-methylidenehex-4-enyl]benzene
SMILESC=C(/C=C/C)CCc1ccccc1
InChIInChI=1S/C13H16/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-9H,2,10-11H2,1H3/b7-3+
InChIKeyZMZFWHZHTUBCGU-XVNBXDOJSA-N
MW172.27 g/mol
LogP3.75
Rot. Bonds4

About [(E)-3-methylidenehex-4-enyl]benzene

[(E)-3-methylidenehex-4-enyl]benzene (PubChem CID 15074252) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(E)-3-methylidenehex-4-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-methylidenehex-4-enyl]benzene
PubChem CID15074252
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name[(E)-3-methylidenehex-4-enyl]benzene
SMILESC=C(/C=C/C)CCc1ccccc1
InChIInChI=1S/C13H16/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-9H,2,10-11H2,1H3/b7-3+
InChIKeyZMZFWHZHTUBCGU-XVNBXDOJSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-2-enylbenzene;3-methylbut-3-enylbenzene
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(4Z)-6-(hydroxymethyl)-1-phenylhepta-4,6-dien-3-one
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(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
ethane;N-methyl-4-phenylbut-1-en-2-amine
CID 143280576
(Z,7Z)-7-ethylidene-N-hydroxy-4-methylidene-10-phenyldec-5-enamide
CID 88936729
6-hydroxy-8-phenyloct-2-en-4-one
CID 71376619
2-phenylethyl (E)-but-2-enoate
CID 5354304
4-[(Z)-3,6-dimethylideneoct-4-enyl]aniline
CID 145059876
4-methylidene-6-phenylhexan-3-one
CID 13485260
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylidenehex-4-enyl]benzene?
The IUPAC name of [(E)-3-methylidenehex-4-enyl]benzene (CID 15074252) is [(E)-3-methylidenehex-4-enyl]benzene.
What is the SMILES notation for [(E)-3-methylidenehex-4-enyl]benzene?
The canonical SMILES for [(E)-3-methylidenehex-4-enyl]benzene is C=C(/C=C/C)CCc1ccccc1.
What is the InChIKey of [(E)-3-methylidenehex-4-enyl]benzene?
The InChIKey is ZMZFWHZHTUBCGU-XVNBXDOJSA-N. The full InChI is InChI=1S/C13H16/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-9H,2,10-11H2,1H3/b7-3+.
What are the key properties of [(E)-3-methylidenehex-4-enyl]benzene?
[(E)-3-methylidenehex-4-enyl]benzene has a molecular weight of 172.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylidenehex-4-enyl]benzene is sourced from PubChem (CID 15074252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).