cyclohexylmethylidenecyclohexane

C13H22 — CID 12714143

IUPACcyclohexylmethylidenecyclohexane
SMILESC(=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11-12H,1-10H2
InChIKeyDIVZROYLBQYYRD-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.46
Rot. Bonds1

About cyclohexylmethylidenecyclohexane

cyclohexylmethylidenecyclohexane (PubChem CID 12714143) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is cyclohexylmethylidenecyclohexane.

Molecular Properties

Compound Namecyclohexylmethylidenecyclohexane
PubChem CID12714143
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Namecyclohexylmethylidenecyclohexane
SMILESC(=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11-12H,1-10H2
InChIKeyDIVZROYLBQYYRD-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
alpha-Bisabolene
CID 86597
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
alpha-Bisabolene, (E)-
CID 5315468
(-)-beta-Curcumene
CID 14014430
(Z)-alpha-Bisabolene
CID 5352653
(E,R)-alpha-bisabolene
CID 13252682
Sylvestrene
CID 12304570
(R)-beta-bisabolene
CID 68128

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethylidenecyclohexane?
The IUPAC name of cyclohexylmethylidenecyclohexane (CID 12714143) is cyclohexylmethylidenecyclohexane.
What is the SMILES notation for cyclohexylmethylidenecyclohexane?
The canonical SMILES for cyclohexylmethylidenecyclohexane is C(=C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexylmethylidenecyclohexane?
The InChIKey is DIVZROYLBQYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11-12H,1-10H2.
What are the key properties of cyclohexylmethylidenecyclohexane?
cyclohexylmethylidenecyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylidenecyclohexane is sourced from PubChem (CID 12714143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).