1-cyclohexylidene-4-methylcyclohexane

C13H22 — CID 123447046

IUPAC1-cyclohexylidene-4-methylcyclohexane
SMILESCC1CCC(=C2CCCCC2)CC1
InChIInChI=1S/C13H22/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h11H,2-10H2,1H3
InChIKeyZSHWCZBQUFKJFN-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.46
Rot. Bonds

About 1-cyclohexylidene-4-methylcyclohexane

1-cyclohexylidene-4-methylcyclohexane (PubChem CID 123447046) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-cyclohexylidene-4-methylcyclohexane.

Molecular Properties

Compound Name1-cyclohexylidene-4-methylcyclohexane
PubChem CID123447046
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-cyclohexylidene-4-methylcyclohexane
SMILESCC1CCC(=C2CCCCC2)CC1
InChIInChI=1S/C13H22/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h11H,2-10H2,1H3
InChIKeyZSHWCZBQUFKJFN-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-4-methylcyclohexane?
The IUPAC name of 1-cyclohexylidene-4-methylcyclohexane (CID 123447046) is 1-cyclohexylidene-4-methylcyclohexane.
What is the SMILES notation for 1-cyclohexylidene-4-methylcyclohexane?
The canonical SMILES for 1-cyclohexylidene-4-methylcyclohexane is CC1CCC(=C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexylidene-4-methylcyclohexane?
The InChIKey is ZSHWCZBQUFKJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h11H,2-10H2,1H3.
What are the key properties of 1-cyclohexylidene-4-methylcyclohexane?
1-cyclohexylidene-4-methylcyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-4-methylcyclohexane is sourced from PubChem (CID 123447046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).