4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate

C12H16O2CAS 5413-60-5192.26 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H16O2
Molar mass
192.26 g/mol
Exact mass
192.1150 Da
logP
2.15Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 1,806 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
5413-60-5
SMILES
CC(=O)OC1CC2CC1C1CC=CC21
InChIKey
RGVQNSFGUOIKFF-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate
  • 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
  • 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
  • Verdyl acetate
  • Herbaflorat
  • NSC 6598
  • Greenyl acetate
  • 8-Acetoxytricyclo[5.2.1.02,6]dec-3-ene
  • Jasmacyclene
  • 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl acetate

Work with 4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate

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

Tricyclodecenyl propionate17511-60-366 % similar 5-Norbornen-2-yl acetate6143-29-943 % similar Menthyl acetate16409-45-340 % similar Menthyl acetate2623-23-640 % similar (±)-Menthyl acetate89-48-540 % similar rac-(1R,4S)-4-Hydroxycyclopent-2-en-1-yl acetate60410-16-436 % similar Aceclidine827-61-236 % similar 1,3,5-Tri-O-acetyl-2-deoxy-D-erythro-pentofuranose4594-52-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isobutyl phenylacetate102-13-6 Benzyl isovalerate103-38-8 2-Phenylethyl isobutyrate103-48-0 2-Phenylethyl butanoate103-52-6 Butyl phenylacetate122-43-0 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-0 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 Dimethylbenzylcarbinyl acetate151-05-3

Elsewhere

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