1-(cyclohexen-1-yl)-2-methylcyclohexene

C13H20 — CID 102594766

IUPAC1-(cyclohexen-1-yl)-2-methylcyclohexene
SMILESCC1=C(C2=CCCCC2)CCCC1
InChIInChI=1S/C13H20/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h8H,2-7,9-10H2,1H3
InChIKeyNNGQGFADGYLYKX-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.38
Rot. Bonds1

About 1-(cyclohexen-1-yl)-2-methylcyclohexene

1-(cyclohexen-1-yl)-2-methylcyclohexene (PubChem CID 102594766) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-methylcyclohexene.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-methylcyclohexene
PubChem CID102594766
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-(cyclohexen-1-yl)-2-methylcyclohexene
SMILESCC1=C(C2=CCCCC2)CCCC1
InChIInChI=1S/C13H20/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h8H,2-7,9-10H2,1H3
InChIKeyNNGQGFADGYLYKX-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(cyclohexen-1-yl)-2-methylcyclohexene 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-(cyclohexen-1-yl)-2-methylcyclohexene?
The IUPAC name of 1-(cyclohexen-1-yl)-2-methylcyclohexene (CID 102594766) is 1-(cyclohexen-1-yl)-2-methylcyclohexene.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-methylcyclohexene?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-methylcyclohexene is CC1=C(C2=CCCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-methylcyclohexene?
The InChIKey is NNGQGFADGYLYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h8H,2-7,9-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-methylcyclohexene?
1-(cyclohexen-1-yl)-2-methylcyclohexene has a molecular weight of 176.30 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-methylcyclohexene is sourced from PubChem (CID 102594766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).