chempirical

trans-4-tert-Butoxycarbonyl-cyclohexane carboxylic acid

C12H20O4CAS 1021273-74-4228.29 g/mol

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Carboxylic acidEster

Properties

Molecular formula
C12H20O4
Molar mass
228.29 g/mol
Exact mass
228.1362 Da
logP
2.22Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1021273-74-4
SMILES
CC(C)(C)OC(=O)C1CCC(CC1)C(=O)O
InChIKey
SVTFYLMWINQYFM-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O4/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)

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Names and synonyms

1 names
  • (1r,4r)-4-[(tert-Butoxy)carbonyl]cyclohexane-1-carboxylic acid

Work with trans-4-tert-Butoxycarbonyl-cyclohexane 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

trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid15177-67-061 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-561 % similar trans-4-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid53292-89-061 % similar cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid53292-90-361 % similar (1S,3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopentanecarboxylic acid261165-05-354 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-754 % similar 1,4-Cyclohexanedicarboxylic acid619-81-854 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-954 % similar

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

Same formula

1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-7 Dibutyl fumarate105-75-9 Dibutyl maleate105-76-0 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-5 Monooctyl maleate2370-71-0 Traumatic acid6402-36-4 2-Ethylhexyl maleate7423-42-9

Elsewhere

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