chempirical

Diethylene glycol monohexadecyl ether

C20H42O3CAS 5274-61-3330.55 g/mol

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OOOH
AlcoholEther

Properties

Molecular formula
C20H42O3
Molar mass
330.55 g/mol
Exact mass
330.3134 Da
Boiling point
154 °C (at 0.02 Torr)
logP
5.49Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
20

Identifiers

CAS number
5274-61-3
SMILES
CCCCCCCCCCCCCCCCOCCOCCO
InChIKey
NMSBTWLFBGNKON-UHFFFAOYSA-N
InChI
InChI=1S/C20H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-19-20-23-18-16-21/h21H,2-20H2,1H3

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Names and synonyms

4 names
  • Ethanol, 2-[2-(hexadecyloxy)ethoxy]-
  • 2-[2-(Hexadecyloxy)ethoxy]ethanol
  • Diethylene glycol hexadecyl ether
  • Polyoxyethylene(2) cetyl ether

Work with Diethylene glycol monohexadecyl ether

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

3,6,9,12-Tetraoxaeicosan-1-ol19327-39-0100 % similar Triethylene glycol monododecyl ether3055-94-5100 % similar 3,6,9,12,15,18-Hexaoxatriacontan-1-ol3055-96-7100 % similar Heptaethylene glycol dodecyl ether3055-97-8100 % similar Octaethylene glycol monododecyl ether3055-98-9100 % similar Nonaethylene glycol monododecyl ether3055-99-0100 % similar 3,6,9,12-Tetraoxatetracosan-1-ol5274-68-0100 % similar 2-Hexoxyethanol112-25-495 % similar

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

Elsewhere

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