(1R,2R,5R)-(+)-2-Hydroxy-3-pinanone

C10H16O2CAS 24047-72-1168.24 g/mol

Open in Covalent MOL file
OHO
AlcoholKetone

Properties

Molecular formula
C10H16O2
Molar mass
168.24 g/mol
Exact mass
168.1150 Da
logP
1.37Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
R, R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
24047-72-1
SMILES
C[C@]1([C@@H]2C[C@@H](C2(C)C)CC1=O)O
InChIKey
VZRRCQOUNSHSGB-BRDIYROLSA-N
InChI
InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m1/s1

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Names and synonyms

1 names
  • 2-Hydroxypinocamphone, (1R,2R,5R)-(+)-

Work with (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone

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.

(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one1845-25-6Enantiomer

Similar compounds

(+)-Pinanediol18680-27-836 % similar Pinanediol22422-34-036 % similar (±)-Camphor21368-68-333 % similar (-)-Camphor464-48-233 % similar (+)-Camphor464-49-333 % similar Camphor76-22-233 % similar (S)-(+)-Ketopinic acid40724-67-232 % similar α-Pinene oxide1686-14-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexyl methacrylate101-43-9 Ethyl 2-octynoate10519-20-7 Methyl 2-nonynoate111-80-8 Ethyl cyclohexylideneacetate1552-92-7 1-Methylcyclopentyl methacrylate178889-45-7 2-Propenoic acid 1-ethylcyclopentyl ester326925-69-3 Geranic acid459-80-3

Elsewhere

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