1-methyl-2-[(E)-oct-1-enyl]benzene

C15H22 — CID 11989536

IUPAC1-methyl-2-[(E)-oct-1-enyl]benzene
SMILESCCCCCC/C=C/c1ccccc1C
InChIInChI=1S/C15H22/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h8-13H,3-7H2,1-2H3/b12-8+
InChIKeyTULVGPNMPRUQKY-XYOKQWHBSA-N
MW202.34 g/mol
LogP4.98
Rot. Bonds6

About 1-methyl-2-[(E)-oct-1-enyl]benzene

1-methyl-2-[(E)-oct-1-enyl]benzene (PubChem CID 11989536) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methyl-2-[(E)-oct-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(E)-oct-1-enyl]benzene
PubChem CID11989536
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-methyl-2-[(E)-oct-1-enyl]benzene
SMILESCCCCCC/C=C/c1ccccc1C
InChIInChI=1S/C15H22/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h8-13H,3-7H2,1-2H3/b12-8+
InChIKeyTULVGPNMPRUQKY-XYOKQWHBSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[(E)-oct-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
1-bromo-2-oct-1-enylbenzene
CID 54357749
CID 173281821
CID 173281821
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
2-methyl-3-pentadec-1-enylphenol
CID 69052424
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
(Z)-7-(2-methylphenyl)hept-6-enoic acid
CID 175666421
(E)-6-(2-methylphenyl)hex-5-enenitrile
CID 14970935

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-oct-1-enyl]benzene?
The IUPAC name of 1-methyl-2-[(E)-oct-1-enyl]benzene (CID 11989536) is 1-methyl-2-[(E)-oct-1-enyl]benzene.
What is the SMILES notation for 1-methyl-2-[(E)-oct-1-enyl]benzene?
The canonical SMILES for 1-methyl-2-[(E)-oct-1-enyl]benzene is CCCCCC/C=C/c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(E)-oct-1-enyl]benzene?
The InChIKey is TULVGPNMPRUQKY-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H22/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h8-13H,3-7H2,1-2H3/b12-8+.
What are the key properties of 1-methyl-2-[(E)-oct-1-enyl]benzene?
1-methyl-2-[(E)-oct-1-enyl]benzene has a molecular weight of 202.34 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-oct-1-enyl]benzene is sourced from PubChem (CID 11989536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).