chempirical

1-(1-Methylcyclopropyl)ethanone

C6H10OCAS 1567-75-598.14 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Boiling point
126 °C
logP
1.38Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1567-75-5
SMILES
CC(=O)C1(C)CC1
InChIKey
OQBCJXUAQQMTRW-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Ethanone, 1-(1-methylcyclopropyl)-
  • Ketone, methyl 1-methylcyclopropyl
  • Methyl 1-methylcyclopropyl ketone
  • 1-Acetyl-1-methylcyclopropane
  • 1-Methylcyclopropyl methyl ketone
  • NSC 97001
  • 1-(1-Methylcyclopropyl)ethan-1-one

Work with 1-(1-Methylcyclopropyl)ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Acetyl-4-methylheptanedinitrile1681-17-062 % similar 1-Methylcyclopropanecarboxylic acid6914-76-746 % similar 3-Hydroxy-3-methyl-2-butanone115-22-042 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-439 % similar Trifluoroacetone421-50-139 % similar 1,1,1-Trichloroacetone918-00-339 % similar 1-Acetyladamantane1660-04-437 % similar 1-Methylcyclohexanecarboxylic acid1123-25-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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