Bornane-2,3-dione

C₁₀H₁₄O₂CAS 10373-78-1166.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄O₂
Molar mass: 166.22 g/mol
Exact mass: 166.0994 Da
Melting point: 198–200 °C
Boiling point: 90 °C (at 20 Torr)
logP: 1.58Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

10373-78-1

SMILES

CC12CCC(C(=O)C1=O)C2(C)C

InChIKey

VNQXSTWCDUXYEZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

15 names · show all

Camphorquinone
Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-
2,3-Bornanedione, (±)-
Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (±)-
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione
(±)-Camphorquinone
Dl-2,3-Camphanedione
Dl-Camphorquinone
Camphoquinone
Camphoroquinone
NSC 285
NSC 402031
DL-Bornane-2,3-dione
CQ
C 0014

Reactions

CAMPHORQUINONE AND CAMPHORQUINONE MONOXIME (Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)- and Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-oxime, (1R)-)product

Work with Bornane-2,3-dione

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Camphoroquinone10334-26-6Defined stereoisomer (+)-Camphorquinone2767-84-2Defined stereoisomer Camphorquinone465-29-2

Similar compounds

1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione595-30-249 % similar 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-449 % similar Enzacamene36861-47-948 % similar d-Camphoric acid124-83-447 % similar Camphoric acid560-09-847 % similar (±)-Camphor21368-68-342 % similar (-)-Camphor464-48-242 % similar (+)-Camphor464-49-342 % similar

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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8 3-Butoxyphenol18979-72-1

Elsewhere

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