chempirical

Spiro[5.7]trideca-1,4-dien-3-one

C13H18OCAS 41138-71-0190.29 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C13H18O
Molar mass
190.29 g/mol
Exact mass
190.1358 Da
logP
3.41Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
41138-71-0
SMILES
C1CCCC2(CCC1)C=CC(=O)C=C2
InChIKey
MLTRUQVIEYRXFC-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O/c14-12-6-10-13(11-7-12)8-4-2-1-3-5-9-13/h6-7,10-11H,1-5,8-9H2

Weigh it out

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

Names and synonyms

2 names
  • Spiro[5.7]trideca-1,4-dien-3-on
  • Spiro[5,7]trideca-1,4-dien-3-one

Work with Spiro[5.7]trideca-1,4-dien-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Benzoquinone106-51-438 % similar Quinhydrone106-34-331 % similar

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

Same formula

Cyclamen aldehyde103-95-7 2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran142874-81-5 2-Cyclohexyl-5-methylphenol1596-13-0 Heptanophenone1671-75-6 Bourgeonal18127-01-0 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-9 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one23696-85-7 1-(4-Pentylphenyl)ethanone37593-02-5

Elsewhere

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