1,2-dimethylcyclohexene

C8H14 — CID 15480

IUPAC1,2-dimethylcyclohexene
SMILESCC1=C(C)CCCC1
InChIInChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3
InChIKeyTXNWMICHNKMOBR-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.90
Rot. Bonds

About 1,2-dimethylcyclohexene

1,2-dimethylcyclohexene (PubChem CID 15480) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1,2-dimethylcyclohexene.

Molecular Properties

Compound Name1,2-dimethylcyclohexene
PubChem CID15480
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1,2-dimethylcyclohexene
SMILESCC1=C(C)CCCC1
InChIInChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3
InChIKeyTXNWMICHNKMOBR-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dimethylcyclohexene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexene?
The IUPAC name of 1,2-dimethylcyclohexene (CID 15480) is 1,2-dimethylcyclohexene.
What is the SMILES notation for 1,2-dimethylcyclohexene?
The canonical SMILES for 1,2-dimethylcyclohexene is CC1=C(C)CCCC1.
What is the InChIKey of 1,2-dimethylcyclohexene?
The InChIKey is TXNWMICHNKMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3.
What are the key properties of 1,2-dimethylcyclohexene?
1,2-dimethylcyclohexene has a molecular weight of 110.20 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexene is sourced from PubChem (CID 15480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).