cyclohexyl-(4-cyclopentylcyclohexyl)methanone

C18H30O — CID 141495223

IUPACcyclohexyl-(4-cyclopentylcyclohexyl)methanone
SMILESO=C(C1CCCCC1)C1CCC(C2CCCC2)CC1
InChIInChI=1S/C18H30O/c19-18(16-8-2-1-3-9-16)17-12-10-15(11-13-17)14-6-4-5-7-14/h14-17H,1-13H2
InChIKeyWGHWRMPMOHUMTF-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.13
Rot. Bonds3

About cyclohexyl-(4-cyclopentylcyclohexyl)methanone

cyclohexyl-(4-cyclopentylcyclohexyl)methanone (PubChem CID 141495223) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is cyclohexyl-(4-cyclopentylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-cyclopentylcyclohexyl)methanone
PubChem CID141495223
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Namecyclohexyl-(4-cyclopentylcyclohexyl)methanone
SMILESO=C(C1CCCCC1)C1CCC(C2CCCC2)CC1
InChIInChI=1S/C18H30O/c19-18(16-8-2-1-3-9-16)17-12-10-15(11-13-17)14-6-4-5-7-14/h14-17H,1-13H2
InChIKeyWGHWRMPMOHUMTF-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-cyclopentylcyclohexyl)methanone?
The IUPAC name of cyclohexyl-(4-cyclopentylcyclohexyl)methanone (CID 141495223) is cyclohexyl-(4-cyclopentylcyclohexyl)methanone.
What is the SMILES notation for cyclohexyl-(4-cyclopentylcyclohexyl)methanone?
The canonical SMILES for cyclohexyl-(4-cyclopentylcyclohexyl)methanone is O=C(C1CCCCC1)C1CCC(C2CCCC2)CC1.
What is the InChIKey of cyclohexyl-(4-cyclopentylcyclohexyl)methanone?
The InChIKey is WGHWRMPMOHUMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c19-18(16-8-2-1-3-9-16)17-12-10-15(11-13-17)14-6-4-5-7-14/h14-17H,1-13H2.
What are the key properties of cyclohexyl-(4-cyclopentylcyclohexyl)methanone?
cyclohexyl-(4-cyclopentylcyclohexyl)methanone has a molecular weight of 262.44 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-cyclopentylcyclohexyl)methanone is sourced from PubChem (CID 141495223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).