chempirical

Dihexyl maleate

C16H28O4CAS 16064-83-8284.40 g/mol

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AlkeneEster

Properties

Molecular formula
C16H28O4
Molar mass
284.40 g/mol
Exact mass
284.1988 Da
logP
3.79Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
12
Double bonds
ZE/Z, in SMILES order

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
16064-83-8
SMILES
CCCCCCOC(=O)/C=C\C(=O)OCCCCCC
InChIKey
QMCVOSQFZZCSLN-QXMHVHEDSA-N
InChI
InChI=1S/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11-

Weigh it out

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

Work with Dihexyl 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

Di-n-octyl maleate2915-53-9100 % 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

Dodecenylsuccinic acid29658-97-7

Elsewhere

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