Cyclobutyl(cyclohexyl)methanone

C11H18O — CID 64982205

IUPACcyclobutyl(cyclohexyl)methanone
SMILESC1CCC(CC1)C(=O)C2CCC2
InChIInChI=1S/C11H18O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h9-10H,1-8H2
InChIKeyGEDPELRWZGAMNG-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.00
Rot. Bonds2

About Cyclobutyl(cyclohexyl)methanone

Cyclobutyl(cyclohexyl)methanone (PubChem CID 64982205) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is cyclobutyl(cyclohexyl)methanone.

Molecular Properties

Compound NameCyclobutyl(cyclohexyl)methanone
PubChem CID64982205
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namecyclobutyl(cyclohexyl)methanone
SMILESC1CCC(CC1)C(=O)C2CCC2
InChIInChI=1S/C11H18O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h9-10H,1-8H2
InChIKeyGEDPELRWZGAMNG-UHFFFAOYSA-N
XLogP3.00
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.00
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
2-sec-Butyl cyclohexanone
CID 61771
(+)-Menthone
CID 443159
4-Propylcyclohexanone
CID 142482
2-Cyclohexylcyclohexanone
CID 7016
Dicyclohexyl ketone
CID 8403
6,10-Dimethylundecan-2-one
CID 95495
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
CID 10362
(1,1'-Bicyclohexyl)-4-one
CID 41690

Frequently Asked Questions

What is the IUPAC name of Cyclobutyl(cyclohexyl)methanone?
The IUPAC name of Cyclobutyl(cyclohexyl)methanone (CID 64982205) is cyclobutyl(cyclohexyl)methanone.
What is the SMILES notation for Cyclobutyl(cyclohexyl)methanone?
The canonical SMILES for Cyclobutyl(cyclohexyl)methanone is C1CCC(CC1)C(=O)C2CCC2.
What is the InChIKey of Cyclobutyl(cyclohexyl)methanone?
The InChIKey is GEDPELRWZGAMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h9-10H,1-8H2.
What are the key properties of Cyclobutyl(cyclohexyl)methanone?
Cyclobutyl(cyclohexyl)methanone has a molecular weight of 166.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclobutyl(cyclohexyl)methanone is sourced from PubChem (CID 64982205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).