1-[(E)-but-2-enyl]-4-propylbenzene

C13H18 — CID 12579285

IUPAC1-[(E)-but-2-enyl]-4-propylbenzene
SMILESC/C=C/Cc1ccc(CCC)cc1
InChIInChI=1S/C13H18/c1-3-5-7-13-10-8-12(6-4-2)9-11-13/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+
InChIKeyHIYCMENWLPLFQI-HWKANZROSA-N
MW174.29 g/mol
LogP3.76
Rot. Bonds4

About 1-[(E)-but-2-enyl]-4-propylbenzene

1-[(E)-but-2-enyl]-4-propylbenzene (PubChem CID 12579285) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-propylbenzene
PubChem CID12579285
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-[(E)-but-2-enyl]-4-propylbenzene
SMILESC/C=C/Cc1ccc(CCC)cc1
InChIInChI=1S/C13H18/c1-3-5-7-13-10-8-12(6-4-2)9-11-13/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+
InChIKeyHIYCMENWLPLFQI-HWKANZROSA-N
XLogP3.76
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 ≤ 53.76
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

1-pent-3-enyl-4-propylbenzene
CID 72599491
1-but-2-enyl-4-(2-chloroethyl)benzene
CID 175436209
1-(3-methoxyprop-2-enyl)-4-propylbenzene
CID 67159296
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
1-[(E)-but-2-enyl]-4-fluorobenzene
CID 13240703
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-but-2-enyl-2-propylbenzene
CID 139617865
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
4-propylthiobenzaldehyde
CID 19091704

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-propylbenzene?
The IUPAC name of 1-[(E)-but-2-enyl]-4-propylbenzene (CID 12579285) is 1-[(E)-but-2-enyl]-4-propylbenzene.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-propylbenzene?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-propylbenzene is C/C=C/Cc1ccc(CCC)cc1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-propylbenzene?
The InChIKey is HIYCMENWLPLFQI-HWKANZROSA-N. The full InChI is InChI=1S/C13H18/c1-3-5-7-13-10-8-12(6-4-2)9-11-13/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-propylbenzene?
1-[(E)-but-2-enyl]-4-propylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-propylbenzene is sourced from PubChem (CID 12579285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).