3-Methyl-2-cyclohexen-1-one
Properties
- Molecular formula
- C7H10O
- Molar mass
- 110.16 g/mol
- Exact mass
- 110.0732 Da
- Density
- 0.978 g/mL (at 15 °C)
- Melting point
- −21 °C
- Boiling point
- 201 °C
- logP
- 1.69Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed16.3% of notifiers
Aggregated from 282 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1193-18-6SMILES
CC1=CC(=O)CCC1InChIKey
IITQJMYAYSNIMI-UHFFFAOYSA-NInChI
InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2-Cyclohexen-1-one, 3-methyl-
- 1-Methyl-1-cyclohexen-3-one
- Seudenone
- MCH
- 3-Methyl-2-cyclohexene-1-one
- NSC 43632
- 3-Methyl-2-cyclohexenone
Work with 3-Methyl-2-cyclohexen-1-one
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
3-Methyl-2-cyclopenten-1-one2758-18-173 % similar
3-Acetoxy-2-cyclohexen-1-one57918-73-752 % similar
3-Amino-2-cyclohexen-1-one5220-49-548 % similar
3-Ethoxycyclohex-2-ene-1-one5323-87-547 % similar
Isophorone78-59-143 % similar
1-Methylcyclopentene693-89-038 % similar
Methylcyclohexene591-49-137 % similar
Wieland-Miescher ketone20007-72-136 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds