4-(dicyclohexylmethyl)cyclohexene

C19H32 — CID 23158009

IUPAC4-(dicyclohexylmethyl)cyclohexene
SMILESC1=CCC(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/h1,4,16-19H,2-3,5-15H2
InChIKeyVEPBQDDMZUAWTI-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.12
Rot. Bonds3

About 4-(dicyclohexylmethyl)cyclohexene

4-(dicyclohexylmethyl)cyclohexene (PubChem CID 23158009) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 4-(dicyclohexylmethyl)cyclohexene.

Molecular Properties

Compound Name4-(dicyclohexylmethyl)cyclohexene
PubChem CID23158009
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name4-(dicyclohexylmethyl)cyclohexene
SMILESC1=CCC(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/h1,4,16-19H,2-3,5-15H2
InChIKeyVEPBQDDMZUAWTI-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.12
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 4-(dicyclohexylmethyl)cyclohexene?
The IUPAC name of 4-(dicyclohexylmethyl)cyclohexene (CID 23158009) is 4-(dicyclohexylmethyl)cyclohexene.
What is the SMILES notation for 4-(dicyclohexylmethyl)cyclohexene?
The canonical SMILES for 4-(dicyclohexylmethyl)cyclohexene is C1=CCC(C(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 4-(dicyclohexylmethyl)cyclohexene?
The InChIKey is VEPBQDDMZUAWTI-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/h1,4,16-19H,2-3,5-15H2.
What are the key properties of 4-(dicyclohexylmethyl)cyclohexene?
4-(dicyclohexylmethyl)cyclohexene has a molecular weight of 260.46 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclohexylmethyl)cyclohexene is sourced from PubChem (CID 23158009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).