Bicyclo(3.2.1)octan-3-one

C₈H₁₂OCAS 14252-05-2124.18 g/mol

Open in Covalent MOL file

Ketone

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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Reactions

BICYCLO[3.2.1]OCTAN-3-ONE (Bicyclo[3.2.1]octan-3-one)product

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

3-(Hydroxymethyl)cyclobutan-1-one183616-18-450 % similar Norcamphor497-38-146 % similar Isobutyl ketone108-83-841 % similar 3-Bromocyclobutanone23761-24-241 % similar 8-Azabicyclo[3.2.1]octan-3-one hydrochloride25602-68-038 % similar Tropinone532-24-138 % similar Cyclopropylacetic acid5239-82-738 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethenyl-7-oxabicyclo[4.1.0]heptane106-86-5 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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