chempirical

Methyl 2-hexylacetoacetate

C11H20O3CAS 70203-04-2200.28 g/mol

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EsterKetone

Properties

Molecular formula
C11H20O3
Molar mass
200.28 g/mol
Exact mass
200.1412 Da
logP
2.33Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

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
70203-04-2
SMILES
CCCCCCC(C(=O)C)C(=O)OC
InChIKey
HBVHDPSYAJZFEF-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h10H,4-8H2,1-3H3

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Names and synonyms

1 names
  • Methyl 2-acetyloctanoate

Work with Methyl 2-hexylacetoacetate

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 2-acetyloctanoate29214-60-670 % similar 2-Acetylhexanoic acid ethyl ester1540-29-061 % similar Methyl 2-bromotetradecanoate16631-25-758 % similar Methyl 2-bromooctanoate5445-22-758 % similar 1,4-Dimethyl 2-acetylbutanedioate10420-33-453 % similar Methyl 2-cyclohexanonecarboxylate41302-34-550 % similar Methyl 2-bromohexanoate4554-19-249 % similar Methyl 2-bromohexanoate5445-19-249 % similar

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

Same formula

4-Oxoundecanoic acid22847-06-9

Elsewhere

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