Di-n-octyl maleate

C₂₀H₃₆O₄CAS 2915-53-9340.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₃₆O₄
Molar mass: 340.50 g/mol
Exact mass: 340.2614 Da
logP: 5.35Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 16

Hazards

Warning

H410 Very toxic to aquatic life with long lasting effects21% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

2915-53-9

SMILES

CCCCCCCCOC(=O)/C=CC(=O)OCCCCCCCC

InChIKey

TVWTZAGVNBPXHU-NXVVXOECSA-N

InChI

InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3/b16-15-

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

Names and synonyms

8 names

2-Butenedioic acid (2Z)-, 1,4-dioctyl ester
Maleic acid, dioctyl ester
2-Butenedioic acid (Z)-, dioctyl ester
2-Butenedioic acid (2Z)-, dioctyl ester
Dioctyl maleate
Bis(1-octyl) maleate
Bernel ester DCM
Dicapryryl maleate

Work with Di-n-octyl maleate

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

Dihexyl maleate16064-83-8100 % similar Dibutyl fumarate105-75-984 % similar Dibutyl maleate105-76-084 % similar Monooctyl maleate2370-71-077 % similar Sodium stearyl fumarate4070-80-871 % similar Hexadecyl acrylate13402-02-370 % similar Decyl acrylate2156-96-970 % similar Lauryl acrylate2156-97-070 % similar

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

Same formula

Diisooctyl maleate1330-76-3 2-Ethylhexyl fumarate141-02-6 Bis(2-ethylhexyl) maleate142-16-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook