chempirical

Etc 1002

C19H36O5CAS 738606-46-7344.49 g/mol

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OHOOHOHO
AlcoholCarboxylic acid

Properties

Molecular formula
C19H36O5
Molar mass
344.49 g/mol
Exact mass
344.2563 Da
logP
4.47Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
14

Identifiers

CAS number
738606-46-7
SMILES
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O
InChIKey
HYHMLYSLQUKXKP-UHFFFAOYSA-N
InChI
InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)

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Names and synonyms

6 names
  • Pentadecanedioic acid, 8-hydroxy-2,2,14,14-tetramethyl-
  • 8-Hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
  • ESP 55016
  • Bempedoic acid
  • Nilemdo
  • Nexletol

Work with Etc 1002

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

2,2-Dimethylpentanoic acid1185-39-350 % similar 2,2-Dimethylglutaric acid681-57-247 % similar 1-Methylcyclohexanecarboxylic acid1123-25-747 % similar Hydroxypivalic acid4835-90-944 % similar 2,2-Dimethylbutanoic acid595-37-944 % similar 3-Chloro-2,2-dimethylpropanoic acid13511-38-143 % similar 2,2-Dimethylsuccinic acid597-43-342 % similar 12-Hydroxystearic acid106-14-941 % similar

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

Same formula

1,2-Dioctanoyl-sn-glycerol60514-48-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook