chempirical

(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

C10H14O4CAS 13429-83-9198.22 g/mol

Open in Covalent MOL file
OOHOO
Carboxylic acidEsterLactone

Properties

Molecular formula
C10H14O4
Molar mass
198.22 g/mol
Exact mass
198.0892 Da
Melting point
199–200 °C
Boiling point
108–110 °C (at 13 Torr)
logP
1.19Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
13429-83-9
SMILES
CC1(C)[C@@]2(C)CC[C@]1(C(=O)O)OC2=O
InChIKey
KPWKPGFLZGMMFX-VHSXEESVSA-N
InChI
InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1S,4R)-
  • 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1S)-
  • (-)-Camphanic acid
  • Camphanic acid
  • ω-Camphanic acid, (-)-
  • (-)-ω-Camphanic acid
  • (1S,4R)-(-)-Camphanic acid
  • (1S)-Camphanic acid
  • (1S)-(-)-Camphanic acid
  • (1S,4R)-ω-Camphanic acid
  • (S)-Camphanic acid
  • (1R,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

Work with (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

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

(+)-Camphanic acid chloride104530-16-762 % similar (-)-Camphanoyl chloride39637-74-662 % similar 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-638 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-938 % similar 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-537 % similar 1-Methylcyclopropanecarboxylic acid6914-76-737 % similar (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-736 % similar (R)-Boc-2-methylproline166170-15-636 % similar

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

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butanoate114099-96-6 Polyethylene glycol dimethacrylate25852-47-5 3,4,5-Trimethoxybenzyl alcohol3840-31-1 Divinyl adipate4074-90-2 2,3,4-Trimethoxybenzyl alcohol71989-96-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook