chempirical

Tricyclodecenyl propionate

C13H18O2CAS 17511-60-3206.28 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C13H18O2
Molar mass
206.28 g/mol
Exact mass
206.1307 Da
logP
2.54Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17511-60-3
SMILES
CCC(=O)OC1CC2CC1C1CC=CC21
InChIKey
BLBJUGKATXCWET-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 4,7-Methano-1H-inden-6-ol, 3A,4,5,6,7,7A-hexahydro-, 6-propanoate
  • 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propionate
  • 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate
  • Cyclaprop
  • Florocyclene
  • Greenyl propionate
  • 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propionate
  • Herbyl propionate

Work with Tricyclodecenyl propionate

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

4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate5413-60-566 % similar Isopropyl propionate637-78-538 % similar (3aR,6aS)-3,3a,6,6a-Tetrahydro-2H-cyclopenta[b]furan-2-one43119-28-437 % similar Tripropionin139-45-735 % similar Cyclohexyl propionate6222-35-135 % similar Corey pg-lactone diol39182-59-733 % similar Propionic anhydride123-62-632 % similar 1-Phenylethyl propionate120-45-631 % similar

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

Same formula

Isoamyl phenylacetate102-19-2 1-Adamantylacrylate121601-93-2 Phenylethyl isovalerate140-26-1 4′-Hydroxyheptanophenone14392-72-4 Ibuprofen15687-27-1 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4 p-tert-Butylphenyl glycidyl ether3101-60-8

Elsewhere

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