chempirical

Methylenecyclohexane oxide

C7H12OCAS 185-70-6112.17 g/mol

Open in Covalent MOL file
O
EpoxideEther

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
logP
1.72Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
185-70-6
SMILES
C1CCC2(CC1)CO2
InChIKey
VUEWYZJJYGPJDC-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-2-4-7(5-3-1)6-8-7/h1-6H2

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Names and synonyms

5 names
  • 1-Oxaspiro[2.5]octane
  • Oxaspirooctane
  • Cyclohexylidene oxide
  • Spirooxiranecyclohexane
  • 1-Oxaspiro[2,5]octane

Work with Methylenecyclohexane oxide

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Diethoxycyclohexane1670-47-935 % similar Olean180-84-733 % similar 1,1-Dimethylcyclohexane590-66-930 % similar

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

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 trans-2-Heptenal18829-55-5 4-Heptyn-2-ol19781-81-8

Elsewhere

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