chempirical

Methyl 3-hydroxydecanoate

C11H22O3CAS 62675-82-5202.29 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C11H22O3
Molar mass
202.29 g/mol
Exact mass
202.1569 Da
logP
2.27Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

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
62675-82-5
SMILES
CCCCCCCC(CC(=O)OC)O
InChIKey
UBVACUZVNTVHTE-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-9H2,1-2H3

Weigh it out

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Work with Methyl 3-hydroxydecanoate

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

Methyl 3-hydroxyhexanoate21188-58-976 % similar Methyl 12-hydroxystearate141-23-175 % similar 1,5-Dimethyl 3-hydroxypentanedioate7250-55-763 % similar Methyl ricinoleate141-24-261 % similar Methyl ricinoleate41989-07-561 % similar (R)-3-Hydroxytetradecanoic acid28715-21-159 % similar trans-9,10-Epoxystearic acid methyl ester6084-76-055 % similar Methyl heptanoate106-73-054 % similar

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

Same formula

1,3-Nonanediol acetate1322-17-4 11-Hydroxyundecanoic acid3669-80-5

Elsewhere

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