chempirical

2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid

C19H34O5CAS 413624-71-2342.48 g/mol

Open in Covalent MOL file
OOOHOHO
Carboxylic acidKetone

Properties

Molecular formula
C19H34O5
Molar mass
342.48 g/mol
Exact mass
342.2406 Da
logP
4.68Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
14

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
413624-71-2
SMILES
CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)O)C(=O)O
InChIKey
NHVXRVOYVVPVDU-UHFFFAOYSA-N
InChI
InChI=1S/C19H34O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h5-14H2,1-4H3,(H,21,22)(H,23,24)

Weigh it out

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

Work with 2,2,14,14-Tetramethyl-8-oxopentadecanedioic 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

2,2,6,6-Tetramethylpimelic acid2941-45-968 % similar 2,2-Dimethylnonanoic acid14250-75-066 % similar ETC 1002738606-46-760 % similar 2,2-Dimethylhexanoic acid813-72-959 % similar 2,2-Dimethylglutaric acid681-57-255 % similar 2,2-Dimethylpentanoic acid1185-39-353 % similar 1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate738606-43-453 % similar 1-Methylcyclohexanecarboxylic acid1123-25-750 % similar

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

Elsewhere

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