7-Methoxy-2,2-dimethylchroman-6-yl palmitate

C₂₈H₄₆O₄CAS 1105025-85-1446.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₈H₄₆O₄
Molar mass: 446.67 g/mol
Exact mass: 446.3396 Da
logP: 8.19Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 16

Identifiers

CAS number

1105025-85-1

SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C(=C1)CCC(O2)(C)C)OC

InChIKey

JDRWDGNLJIHONB-UHFFFAOYSA-N

InChI

InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)31-26-21-23-19-20-28(2,3)32-24(23)22-25(26)30-4/h21-22H,5-20H2,1-4H3

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

Work with 7-Methoxy-2,2-dimethylchroman-6-yl palmitate

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

Phenyl stearate637-55-840 % similar 4-Methylphenyl octanoate59558-23-539 % similar Kojic acid dipalmitate79725-98-738 % similar β-Naphthyl laurate6343-73-338 % similar 2-Naphthyl myristate7262-80-838 % similar Methyl heptanoate106-73-037 % similar Methyl decanoate110-42-937 % similar Methyl octanoate111-11-537 % similar

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

Same formula

Didecyl phthalate84-77-5

Elsewhere

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