15-(tert-Butoxy)-15-oxopentadecanoic acid

C₁₉H₃₆O₄CAS 905302-42-3328.49 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₁₉H₃₆O₄
Molar mass: 328.49 g/mol
Exact mass: 328.2614 Da
logP: 5.48Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 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

905302-42-3

SMILES

CC(C)(C)OC(=O)CCCCCCCCCCCCCC(=O)O

InChIKey

BDHAQLJDYZFGNC-UHFFFAOYSA-N

InChI

InChI=1S/C19H36O4/c1-19(2,3)23-18(22)16-14-12-10-8-6-4-5-7-9-11-13-15-17(20)21/h4-16H2,1-3H3,(H,20,21)

Weigh it out

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Names and synonyms

1 names

905302-42-3

Work with 15-(tert-Butoxy)-15-oxopentadecanoic 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

20-(tert-Butoxy)-20-oxoicosanoic acid683239-16-9100 % similar 18-(tert-Butoxy)-18-oxooctadecanoic acid843666-40-0100 % similar Mono-tert-butyl succinate15026-17-277 % similar Mono-tert-butyl malonate40052-13-963 % similar Monomethyl azelate2104-19-061 % similar 1-Methyl octanedioate3946-32-561 % similar tert-Butyl 4-hydroxybutanoate59854-12-561 % similar Monomethyl sebacate818-88-261 % similar

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

Same formula

2-Hexadecylpropanedioic acid4371-64-6 Nonadecanedioic acid6250-70-0

Elsewhere

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