tert-Butyl 3-(2-hydroxyethoxy)propanoate

C9H18O4CAS 671802-00-9190.24 g/mol

Open in Covalent MOL file
OOOOH
AlcoholEsterEther

Properties

Molecular formula
C9H18O4
Molar mass
190.24 g/mol
Exact mass
190.1205 Da
logP
0.73Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
671802-00-9
SMILES
CC(C)(C)OC(=O)CCOCCO
InChIKey
ACWLDITVZGWIKA-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O4/c1-9(2,3)13-8(11)4-6-12-7-5-10/h10H,4-7H2,1-3H3

Weigh it out

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

Work with tert-Butyl 3-(2-hydroxyethoxy)propanoate

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

tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate133803-81-397 % similar tert-Butyl 12-hydroxy-4 7 10-trioxa-186020-66-697 % similar Ho-peg10-tbu778596-26-297 % similar tert-Butyl 4-hydroxybutanoate59854-12-566 % similar Amino-peg1-T-butyl ester1260092-46-365 % similar tert-Butyl 12-amino-4 7 10-trioxa-dodeca252881-74-663 % similar tert-Butyl 1-Amino-3,6,9,12-tetraoxapentadecan-15-oate581065-95-463 % similar 1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate756525-95-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3,3-diethoxypropionate10601-80-6 Dipropylene glycol methyl ether acetate88917-22-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook