2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone

C14H24O — CID 103167882

IUPAC2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CC2CCC2)CC1C
InChIInChI=1S/C14H24O/c1-10-6-7-13(8-11(10)2)14(15)9-12-4-3-5-12/h10-13H,3-9H2,1-2H3
InChIKeyWYJPJBVEDDPCFG-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.82
Rot. Bonds3

About 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone

2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone (PubChem CID 103167882) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
PubChem CID103167882
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CC2CCC2)CC1C
InChIInChI=1S/C14H24O/c1-10-6-7-13(8-11(10)2)14(15)9-12-4-3-5-12/h10-13H,3-9H2,1-2H3
InChIKeyWYJPJBVEDDPCFG-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone (CID 103167882) is 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone is CC1CCC(C(=O)CC2CCC2)CC1C.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone?
The InChIKey is WYJPJBVEDDPCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-6-7-13(8-11(10)2)14(15)9-12-4-3-5-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone?
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone has a molecular weight of 208.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 103167882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).