1,2-dicyclohexylethylcyclohexane

C20H36 — CID 544023

IUPAC1,2-dicyclohexylethylcyclohexane
SMILESC1CCC(CC(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H36/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-20H,1-16H2
InChIKeyZRLRQTYAHVRATD-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.73
Rot. Bonds4

About 1,2-dicyclohexylethylcyclohexane

1,2-dicyclohexylethylcyclohexane (PubChem CID 544023) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1,2-dicyclohexylethylcyclohexane.

Molecular Properties

Compound Name1,2-dicyclohexylethylcyclohexane
PubChem CID544023
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1,2-dicyclohexylethylcyclohexane
SMILESC1CCC(CC(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H36/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-20H,1-16H2
InChIKeyZRLRQTYAHVRATD-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexylethylcyclohexane?
The IUPAC name of 1,2-dicyclohexylethylcyclohexane (CID 544023) is 1,2-dicyclohexylethylcyclohexane.
What is the SMILES notation for 1,2-dicyclohexylethylcyclohexane?
The canonical SMILES for 1,2-dicyclohexylethylcyclohexane is C1CCC(CC(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 1,2-dicyclohexylethylcyclohexane?
The InChIKey is ZRLRQTYAHVRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-20H,1-16H2.
What are the key properties of 1,2-dicyclohexylethylcyclohexane?
1,2-dicyclohexylethylcyclohexane has a molecular weight of 276.51 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexylethylcyclohexane is sourced from PubChem (CID 544023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).