1,2-dicyclohexylcyclohexene

C18H30 — CID 22222667

IUPAC1,2-dicyclohexylcyclohexene
SMILESC1CCC(C2=C(C3CCCCC3)CCCC2)CC1
InChIInChI=1S/C18H30/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKeyJYNLTWJPPFIEFR-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.02
Rot. Bonds2

About 1,2-dicyclohexylcyclohexene

1,2-dicyclohexylcyclohexene (PubChem CID 22222667) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,2-dicyclohexylcyclohexene.

Molecular Properties

Compound Name1,2-dicyclohexylcyclohexene
PubChem CID22222667
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,2-dicyclohexylcyclohexene
SMILESC1CCC(C2=C(C3CCCCC3)CCCC2)CC1
InChIInChI=1S/C18H30/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKeyJYNLTWJPPFIEFR-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.02
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 1,2-dicyclohexylcyclohexene?
The IUPAC name of 1,2-dicyclohexylcyclohexene (CID 22222667) is 1,2-dicyclohexylcyclohexene.
What is the SMILES notation for 1,2-dicyclohexylcyclohexene?
The canonical SMILES for 1,2-dicyclohexylcyclohexene is C1CCC(C2=C(C3CCCCC3)CCCC2)CC1.
What is the InChIKey of 1,2-dicyclohexylcyclohexene?
The InChIKey is JYNLTWJPPFIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h15-16H,1-14H2.
What are the key properties of 1,2-dicyclohexylcyclohexene?
1,2-dicyclohexylcyclohexene has a molecular weight of 246.44 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexylcyclohexene is sourced from PubChem (CID 22222667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).