16-(Benzyloxy)-16-oxohexadecanoic acid

C₂₃H₃₆O₄CAS 146004-98-0376.54 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₂₃H₃₆O₄
Molar mass: 376.54 g/mol
Exact mass: 376.2614 Da
logP: 6.28Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 17

Identifiers

CAS number

146004-98-0

SMILES

C1=CC=C(C=C1)COC(=O)CCCCCCCCCCCCCCC(=O)O

InChIKey

RKIWVFNLOSNCET-UHFFFAOYSA-N

InChI

InChI=1S/C23H36O4/c24-22(25)18-14-9-7-5-3-1-2-4-6-8-10-15-19-23(26)27-20-21-16-12-11-13-17-21/h11-13,16-17H,1-10,14-15,18-20H2,(H,24,25)

Weigh it out

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

Work with 16-(Benzyloxy)-16-oxohexadecanoic 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

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

Elsewhere

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