Bicyclo(3.2.1)octan-3-one

C₈H₁₂OCAS 14252-05-2124.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂O
Molar mass: 124.18 g/mol
Exact mass: 124.0888 Da
logP: 1.77Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

14252-05-2

SMILES

C1CC2CC1CC(=O)C2

InChIKey

HIMMOVPGAJKVOS-UHFFFAOYSA-N

InChI

InChI=1S/C8H12O/c9-8-4-6-1-2-7(3-6)5-8/h6-7H,1-5H2

Weigh it out

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

Names and synonyms

4 names

Bicyclo[3.2.1]octan-3-one
3-Bicyclo[3.2.1]octanone
3-Bicyclo(3.2.1)octanone
Bicyclo-[3.2.1]octan-3-one

Work with Bicyclo(3.2.1)octan-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

Isobutyl ketone108-83-841 % similar 3-Bromocyclobutanone23761-24-241 % similar Tropinone532-24-138 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-737 % similar 3-Aminocyclobutan-1-one hydrochloride1035374-20-936 % similar 4-Oxo-1,2-cyclopentanedicarboxylic acid1703-61-336 % similar 2,6,8-Trimethyl-4-nonanone123-18-236 % similar Pseudopelletierine552-70-536 % similar

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

Same formula

4-Vinylcyclohexene oxide106-86-5 4,4-Dimethyl-2-cyclohexen-1-one1073-13-8 6-Methylhepta-3,5-dien-2-one1604-28-0 2-Butylfuran4466-24-4 9-Oxabicyclo[6.1.0]non-4-ene637-90-1 1-Ethynylcyclohexanol78-27-3 1-Acetylcyclohexene932-66-1 Bicyclo[2.2.1]hept-5-ene-2-methanol95-12-5

Elsewhere

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