1-cyclobutyl-2-methylbutan-1-one

C9H16O — CID 79446135

IUPAC1-cyclobutyl-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1CCC1
InChIInChI=1S/C9H16O/c1-3-7(2)9(10)8-5-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyBGXCGUWAMQMJBF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds3

About 1-cyclobutyl-2-methylbutan-1-one

1-cyclobutyl-2-methylbutan-1-one (PubChem CID 79446135) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-cyclobutyl-2-methylbutan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-methylbutan-1-one
PubChem CID79446135
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-cyclobutyl-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1CCC1
InChIInChI=1S/C9H16O/c1-3-7(2)9(10)8-5-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyBGXCGUWAMQMJBF-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
N-[5-(2-methylbutanoyl)cyclooctyl]formamide
CID 170223710
2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-one
CID 105119465
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647
2-methyl-1-[(3S)-pyrrolidin-3-yl]butan-1-one
CID 126693531
4-cyclohexyl-3-methyl-4-oxobutanoic acid
CID 15053856
(2R)-2-methyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-1-one
CID 89134114
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
1-(2-acetylcyclohexyl)-2-methylbutan-1-one
CID 149155642
1-cyclobutyl-2-methoxypentan-1-one
CID 116708018
2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methylbutan-1-one?
The IUPAC name of 1-cyclobutyl-2-methylbutan-1-one (CID 79446135) is 1-cyclobutyl-2-methylbutan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-methylbutan-1-one?
The canonical SMILES for 1-cyclobutyl-2-methylbutan-1-one is CCC(C)C(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-methylbutan-1-one?
The InChIKey is BGXCGUWAMQMJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-7(2)9(10)8-5-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-methylbutan-1-one?
1-cyclobutyl-2-methylbutan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methylbutan-1-one is sourced from PubChem (CID 79446135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).