dicyclohexylmethylidenecyclohexane

C19H32 — CID 10879841

IUPACdicyclohexylmethylidenecyclohexane
SMILESC1CCC(=C(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C19H32/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-17H,1-15H2
InChIKeyVQARLIPIWACGHW-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.41
Rot. Bonds2

About dicyclohexylmethylidenecyclohexane

dicyclohexylmethylidenecyclohexane (PubChem CID 10879841) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is dicyclohexylmethylidenecyclohexane.

Molecular Properties

Compound Namedicyclohexylmethylidenecyclohexane
PubChem CID10879841
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Namedicyclohexylmethylidenecyclohexane
SMILESC1CCC(=C(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C19H32/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-17H,1-15H2
InChIKeyVQARLIPIWACGHW-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.41
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 dicyclohexylmethylidenecyclohexane?
The IUPAC name of dicyclohexylmethylidenecyclohexane (CID 10879841) is dicyclohexylmethylidenecyclohexane.
What is the SMILES notation for dicyclohexylmethylidenecyclohexane?
The canonical SMILES for dicyclohexylmethylidenecyclohexane is C1CCC(=C(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of dicyclohexylmethylidenecyclohexane?
The InChIKey is VQARLIPIWACGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-17H,1-15H2.
What are the key properties of dicyclohexylmethylidenecyclohexane?
dicyclohexylmethylidenecyclohexane has a molecular weight of 260.46 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethylidenecyclohexane is sourced from PubChem (CID 10879841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).