2-cyclobutyl-1-(1-methylcyclohexyl)ethanone

C13H22O — CID 106829597

IUPAC2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
SMILESCC1(C(=O)CC2CCC2)CCCCC1
InChIInChI=1S/C13H22O/c1-13(8-3-2-4-9-13)12(14)10-11-6-5-7-11/h11H,2-10H2,1H3
InChIKeyNPONNZKIMXLVKN-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds3

About 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone

2-cyclobutyl-1-(1-methylcyclohexyl)ethanone (PubChem CID 106829597) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
PubChem CID106829597
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
SMILESCC1(C(=O)CC2CCC2)CCCCC1
InChIInChI=1S/C13H22O/c1-13(8-3-2-4-9-13)12(14)10-11-6-5-7-11/h11H,2-10H2,1H3
InChIKeyNPONNZKIMXLVKN-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone (CID 106829597) is 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone is CC1(C(=O)CC2CCC2)CCCCC1.
What is the InChIKey of 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone?
The InChIKey is NPONNZKIMXLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-13(8-3-2-4-9-13)12(14)10-11-6-5-7-11/h11H,2-10H2,1H3.
What are the key properties of 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone?
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone has a molecular weight of 194.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1-methylcyclohexyl)ethanone is sourced from PubChem (CID 106829597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).