chempirical

Succinic acid menthol monoester

C14H24O4CAS 77341-67-4256.34 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acidEster

Properties

Molecular formula
C14H24O4
Molar mass
256.34 g/mol
Exact mass
256.1675 Da
Melting point
60–62 °C
logP
2.86Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
S, R, Rin SMILES atom order

Identifiers

CAS number
77341-67-4
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)O
InChIKey
BLILOGGUTRWFNI-GRYCIOLGSA-N
InChI
InChI=1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)/t10-,11+,12-/m1/s1

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

Names and synonyms

7 names
  • Butanedioic acid, 1-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester
  • Butanedioic acid, mono[5-methyl-2-(1-methylethyl)cyclohexyl] ester, [1R-(1α,2β,5α)]-
  • Butanedioic acid, mono[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester
  • 1-[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl] butanedioate
  • Physcool
  • Physcool N 2188
  • FEMA 3810

Work with Succinic acid menthol monoester

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

Menthyl acetate16409-45-356 % similar Menthyl acetate2623-23-656 % similar (±)-Menthyl acetate89-48-556 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-356 % similar (+)-Menthyl chloroformate7635-54-355 % similar Menthyl lactate17162-29-754 % similar L-Menthyl D-lactate59259-38-054 % similar L-Menthyl L-lactate61597-98-654 % similar

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

Same formula

1,4-Cyclohexanedimethanol diglycidyl ether14228-73-0 Pentaerythritol triallyl ether1471-17-6

Elsewhere

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