Phenyl stearate

C₂₄H₄₀O₂CAS 637-55-8360.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₄₀O₂
Molar mass: 360.58 g/mol
Exact mass: 360.3028 Da
Melting point: 52 °C
Boiling point: 200–205 °C (at 2 Torr)
logP: 7.85Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 17

Identifiers

CAS number

637-55-8

SMILES

CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1

InChIKey

NUMNZKICGJJSHN-UHFFFAOYSA-N

InChI

InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3

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

Names and synonyms

4 names

Octadecanoic acid, phenyl ester
Stearic acid, phenyl ester
Phenyl octadecanoate
NSC 57588

Work with Phenyl stearate

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

4-Methylphenyl octanoate59558-23-572 % similar β-Naphthyl laurate6343-73-369 % similar 2-Naphthyl myristate7262-80-869 % similar P-Nitrophenyl palmitate1492-30-462 % similar P-Nitrophenyl laurate1956-11-262 % similar Dilauroyl peroxide105-74-855 % similar Decanoic anhydride2082-76-055 % similar Palmitic anhydride623-65-455 % similar

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

Elsewhere

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