2-[(E)-hept-1-enyl]-1,3-dimethylbenzene

C15H22 — CID 102152874

IUPAC2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
SMILESCCCCC/C=C/c1c(C)cccc1C
InChIInChI=1S/C15H22/c1-4-5-6-7-8-12-15-13(2)10-9-11-14(15)3/h8-12H,4-7H2,1-3H3/b12-8+
InChIKeyJDUDPZXEQQHXHS-XYOKQWHBSA-N
MW202.34 g/mol
LogP4.90
Rot. Bonds5

About 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene

2-[(E)-hept-1-enyl]-1,3-dimethylbenzene (PubChem CID 102152874) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
PubChem CID102152874
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
SMILESCCCCC/C=C/c1c(C)cccc1C
InChIInChI=1S/C15H22/c1-4-5-6-7-8-12-15-13(2)10-9-11-14(15)3/h8-12H,4-7H2,1-3H3/b12-8+
InChIKeyJDUDPZXEQQHXHS-XYOKQWHBSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.90
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

1,2,4-trimethyl-3-oct-1-enylbenzene
CID 150667765
1,3-dichloro-2-[(E)-hept-1-enyl]benzene
CID 20721002
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
3-hept-1-enyl-1,2,4,5-tetramethylbenzene
CID 173045818
2-[(1E)-hexa-1,5-dienyl]-1,3-dimethylbenzene
CID 102344241
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
1,3-dimethyl-2-oct-1-enylsulfanylbenzene
CID 71416611
3-hept-1-enyl-2-methylphenol
CID 140713587
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
[(E)-octadec-1-enyl]benzene
CID 22722345
2-methyl-3-pentadec-1-enylphenol
CID 69052424

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene (CID 102152874) is 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene is CCCCC/C=C/c1c(C)cccc1C.
What is the InChIKey of 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene?
The InChIKey is JDUDPZXEQQHXHS-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H22/c1-4-5-6-7-8-12-15-13(2)10-9-11-14(15)3/h8-12H,4-7H2,1-3H3/b12-8+.
What are the key properties of 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene?
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-1-enyl]-1,3-dimethylbenzene is sourced from PubChem (CID 102152874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).