chempirical

15-Hydroxypentadecanoic acid

C15H30O3CAS 4617-33-8258.40 g/mol

Open in Covalent MOL file
OHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C15H30O3
Molar mass
258.40 g/mol
Exact mass
258.2195 Da
Melting point
81–82 °C
Boiling point
174–220 °C (at 4 Torr)
logP
4.13Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
14

Identifiers

CAS number
4617-33-8
SMILES
O=C(O)CCCCCCCCCCCCCCO
InChIKey
BZUNJUAMQZRJIP-UHFFFAOYSA-N
InChI
InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)

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

Names and synonyms

3 names
  • Pentadecanoic acid, 15-hydroxy-
  • 14-Hydroxy-1-tetradecanecarboxylic acid
  • ω-Hydroxypentadecanoic acid

Work with 15-Hydroxypentadecanoic 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 11-Hydroxyundecanoic acid3669-80-5100 % similar 9-Hydroxynonanoic acid3788-56-5100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook