1-hex-2-enyl-4-methylbenzene

C13H18 — CID 54148468

IUPAC1-hex-2-enyl-4-methylbenzene
SMILESCCCC=CCc1ccc(C)cc1
InChIInChI=1S/C13H18/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeySXVWVWVYZSAHOC-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.89
Rot. Bonds4

About 1-hex-2-enyl-4-methylbenzene

1-hex-2-enyl-4-methylbenzene (PubChem CID 54148468) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-hex-2-enyl-4-methylbenzene.

Molecular Properties

Compound Name1-hex-2-enyl-4-methylbenzene
PubChem CID54148468
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-hex-2-enyl-4-methylbenzene
SMILESCCCC=CCc1ccc(C)cc1
InChIInChI=1S/C13H18/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeySXVWVWVYZSAHOC-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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

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1-[(Z)-hex-2-enyl]-3-methylbenzene
CID 101190405
1-methyl-4-(5-methylhex-2-enyl)benzene
CID 91610142
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
5-(4-ethylphenyl)pent-3-en-1-amine
CID 79591021
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium
CID 101206039
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
CID 142879843
[(E)-oct-2-enyl]benzene
CID 13383320
decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene
CID 157091649

Frequently Asked Questions

What is the IUPAC name of 1-hex-2-enyl-4-methylbenzene?
The IUPAC name of 1-hex-2-enyl-4-methylbenzene (CID 54148468) is 1-hex-2-enyl-4-methylbenzene.
What is the SMILES notation for 1-hex-2-enyl-4-methylbenzene?
The canonical SMILES for 1-hex-2-enyl-4-methylbenzene is CCCC=CCc1ccc(C)cc1.
What is the InChIKey of 1-hex-2-enyl-4-methylbenzene?
The InChIKey is SXVWVWVYZSAHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 1-hex-2-enyl-4-methylbenzene?
1-hex-2-enyl-4-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-2-enyl-4-methylbenzene is sourced from PubChem (CID 54148468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).