Dicyclopropyl ketone
Properties
- Molecular formula
- C7H10O
- Molar mass
- 110.16 g/mol
- Exact mass
- 110.0732 Da
- Melting point
- 44–44.5 °C
- Boiling point
- 161 °C
- logP
- 1.38Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 103 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
1121-37-5SMILES
O=C(C1CC1)C1CC1InChIKey
BIPUHAHGLJKIPK-UHFFFAOYSA-NInChI
InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Methanone, dicyclopropyl-
- Cyclopropyl ketone
- Dicyclopropylmethanone
- NSC 49148
Reactions
Work with Dicyclopropyl ketone
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
Cyclohexyl ketone119-60-869 % similar
Adamantanone700-58-350 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-742 % similar
Cyclopropanecarboxylic acid1759-53-142 % similar
Cyclopropanecarbonyl chloride4023-34-142 % similar
1,4-Cyclohexanedicarboxylic acid619-81-842 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-942 % similar
Cyclopropanecarboxamide6628-73-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds