1,1-dicyclohexylcyclohexane

C18H32 — CID 15702223

IUPAC1,1-dicyclohexylcyclohexane
SMILESC1CCC(C2(C3CCCCC3)CCCCC2)CC1
InChIInChI=1S/C18H32/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17/h16-17H,1-15H2
InChIKeyRIXHJRZKAYIFJX-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.10
Rot. Bonds2

About 1,1-dicyclohexylcyclohexane

1,1-dicyclohexylcyclohexane (PubChem CID 15702223) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1,1-dicyclohexylcyclohexane.

Molecular Properties

Compound Name1,1-dicyclohexylcyclohexane
PubChem CID15702223
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1,1-dicyclohexylcyclohexane
SMILESC1CCC(C2(C3CCCCC3)CCCCC2)CC1
InChIInChI=1S/C18H32/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17/h16-17H,1-15H2
InChIKeyRIXHJRZKAYIFJX-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylcyclohexane?
The IUPAC name of 1,1-dicyclohexylcyclohexane (CID 15702223) is 1,1-dicyclohexylcyclohexane.
What is the SMILES notation for 1,1-dicyclohexylcyclohexane?
The canonical SMILES for 1,1-dicyclohexylcyclohexane is C1CCC(C2(C3CCCCC3)CCCCC2)CC1.
What is the InChIKey of 1,1-dicyclohexylcyclohexane?
The InChIKey is RIXHJRZKAYIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17/h16-17H,1-15H2.
What are the key properties of 1,1-dicyclohexylcyclohexane?
1,1-dicyclohexylcyclohexane has a molecular weight of 248.45 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylcyclohexane is sourced from PubChem (CID 15702223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).