chempirical

Triethylene glycol monobenzyl ether

C13H20O4CAS 55489-58-2240.30 g/mol

Open in Covalent MOL file
OOOOH
AlcoholEther

Properties

Molecular formula
C13H20O4
Molar mass
240.30 g/mol
Exact mass
240.1362 Da
logP
1.23Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
10

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
55489-58-2
SMILES
C1=CC=C(C=C1)COCCOCCOCCO
InChIKey
KVPHZILZNXDCNH-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2

Weigh it out

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

Work with Triethylene glycol monobenzyl 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

2-[2-(Benzyloxy)ethoxy]ethan-1-ol2050-25-1100 % similar Hexaethylene glycol monobenzyl ether24342-68-5100 % similar 2-[2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol57671-28-0100 % similar 2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethanol86259-87-2100 % similar Benzyloxyethanol622-08-292 % similar 3-(Benzyloxy)-1-propanol4799-68-271 % similar Dibenzyl ether103-50-456 % similar Benzyl 2-bromoethyl ether1462-37-953 % similar

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

Same formula

Neopentyl glycol dimethacrylate1985-51-9 Diethyl diallylmalonate3195-24-2 Norprostol40098-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook