chempirical

Ethyl tetrahydropyran-4-carboxylate

C8H14O3CAS 96835-17-5158.20 g/mol

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EsterEther

Properties

Molecular formula
C8H14O3
Molar mass
158.20 g/mol
Exact mass
158.0943 Da
logP
0.98Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
96835-17-5
SMILES
CCOC(=O)C1CCOCC1
InChIKey
BCXINTIRMSZYKA-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O3/c1-2-11-8(9)7-3-5-10-6-4-7/h7H,2-6H2,1H3

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Names and synonyms

1 names
  • Ethyl oxane-4-carboxylate

Work with Ethyl tetrahydropyran-4-carboxylate

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

Ethyl cyclopropanecarboxylate4606-07-976 % similar Ethyl cyclobutanecarboxylate14924-53-970 % similar Ethyl cyclohexanecarboxylate3289-28-968 % similar Ethyl isonipecotate1126-09-663 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-463 % similar trans-4-Aminocyclohexane carboxylic acid ethyl ester1678-68-861 % similar Ethyl 4-hydroxycyclohexanecarboxylate17159-80-761 % similar trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-061 % similar

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

Same formula

Butyric anhydride106-31-0 Ethyl 5-oxohexanoate13984-57-1 tert-Butyl acetoacetate1694-31-1 Methyl 4-hydroxycyclohexanecarboxylate17449-76-2 1,4-Dioxa-spiro[4.5]decan-8-ol22428-87-1 Ethoxyethyl methacrylate2370-63-0 Ethyl 3-oxohexanoate3249-68-1 Methyl 3-oxoheptanoate39815-78-6

Elsewhere

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