1-[(E)-hex-1-enyl]-2-methylbenzene

C13H18 — CID 143283238

IUPAC1-[(E)-hex-1-enyl]-2-methylbenzene
SMILESCCCC/C=C/c1ccccc1C
InChIInChI=1S/C13H18/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h6-11H,3-5H2,1-2H3/b10-6+
InChIKeyGTPGJMRHDCTWAV-UXBLZVDNSA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds4

About 1-[(E)-hex-1-enyl]-2-methylbenzene

1-[(E)-hex-1-enyl]-2-methylbenzene (PubChem CID 143283238) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[(E)-hex-1-enyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-hex-1-enyl]-2-methylbenzene
PubChem CID143283238
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-[(E)-hex-1-enyl]-2-methylbenzene
SMILESCCCC/C=C/c1ccccc1C
InChIInChI=1S/C13H18/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h6-11H,3-5H2,1-2H3/b10-6+
InChIKeyGTPGJMRHDCTWAV-UXBLZVDNSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
(E)-6-(2-methylphenyl)hex-5-enenitrile
CID 14970935
(Z)-7-(2-methylphenyl)hept-6-enoic acid
CID 175666421
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
1-bromo-2-oct-1-enylbenzene
CID 54357749
(Z)-5-(2-methylphenyl)pent-4-enoic acid
CID 124649897
CID 173281821
CID 173281821
(Z)-4-(2-methylphenyl)but-3-enal
CID 117268062
N-ethyl-3-(2-methylphenyl)prop-2-en-1-amine
CID 79347344
N-[2-[(E)-hex-1-enyl]phenyl]acetamide
CID 10998472
3-hept-1-enyl-2-methylphenol
CID 140713587

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-1-enyl]-2-methylbenzene?
The IUPAC name of 1-[(E)-hex-1-enyl]-2-methylbenzene (CID 143283238) is 1-[(E)-hex-1-enyl]-2-methylbenzene.
What is the SMILES notation for 1-[(E)-hex-1-enyl]-2-methylbenzene?
The canonical SMILES for 1-[(E)-hex-1-enyl]-2-methylbenzene is CCCC/C=C/c1ccccc1C.
What is the InChIKey of 1-[(E)-hex-1-enyl]-2-methylbenzene?
The InChIKey is GTPGJMRHDCTWAV-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H18/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h6-11H,3-5H2,1-2H3/b10-6+.
What are the key properties of 1-[(E)-hex-1-enyl]-2-methylbenzene?
1-[(E)-hex-1-enyl]-2-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-1-enyl]-2-methylbenzene is sourced from PubChem (CID 143283238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).