2-cyclohexylcyclohexan-1-one

C12H20O — CID 7016

IUPAC2-cyclohexylcyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCC1
InChIInChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKeyUOBQDYFTAJKQAL-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds1

About 2-cyclohexylcyclohexan-1-one

2-cyclohexylcyclohexan-1-one (PubChem CID 7016) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclohexylcyclohexan-1-one.

Molecular Properties

Compound Name2-cyclohexylcyclohexan-1-one
PubChem CID7016
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-cyclohexylcyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCC1
InChIInChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKeyUOBQDYFTAJKQAL-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthone
CID 26447
(+)-Isomenthone
CID 70962
p-Menthan-3-one
CID 6986
Isomenthone, (+-)-
CID 6432469
4-tert-Butylcyclohexanone
CID 7392
2-sec-Butyl cyclohexanone
CID 61771
(+)-Menthone
CID 443159
4-Propylcyclohexanone
CID 142482
Dicyclohexyl ketone
CID 8403
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
CID 10362
(1,1'-Bicyclohexyl)-4-one
CID 41690
2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-
CID 118134

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylcyclohexan-1-one?
The IUPAC name of 2-cyclohexylcyclohexan-1-one (CID 7016) is 2-cyclohexylcyclohexan-1-one.
What is the SMILES notation for 2-cyclohexylcyclohexan-1-one?
The canonical SMILES for 2-cyclohexylcyclohexan-1-one is O=C1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexylcyclohexan-1-one?
The InChIKey is UOBQDYFTAJKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2.
What are the key properties of 2-cyclohexylcyclohexan-1-one?
2-cyclohexylcyclohexan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylcyclohexan-1-one is sourced from PubChem (CID 7016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).