11-Hydroxyundecanoic acid

C₁₁H₂₂O₃CAS 3669-80-5202.29 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₁H₂₂O₃
Molar mass: 202.29 g/mol
Exact mass: 202.1569 Da
Melting point: 65.5 °C
logP: 2.57Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 10

Identifiers

CAS number

3669-80-5

SMILES

O=C(O)CCCCCCCCCCO

InChIKey

KNRCBASNXNXUQQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

Undecanoic acid, 11-hydroxy-

Work with 11-Hydroxyundecanoic 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

10-Hydroxydecanoic acid1679-53-4100 % similar 9-Hydroxynonanoic acid3788-56-5100 % similar 15-Hydroxypentadecanoic acid4617-33-8100 % similar 12-Hydroxydodecanoic acid505-95-3100 % similar Juniperic acid506-13-8100 % similar Polybutylene succinate25777-14-481 % similar Pimelic acid111-16-075 % similar Sebacic acid111-20-675 % similar

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

Same formula

1,3-Nonanediol acetate1322-17-4

Elsewhere

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