Diethyl 3-hydroxyglutarate

C9H16O5CAS 32328-03-3204.22 g/mol

Open in Covalent MOL file
OOOHOO
AlcoholEster

Properties

Molecular formula
C9H16O5
Molar mass
204.22 g/mol
Exact mass
204.0998 Da
Density
1.1 g/mL (at 23 °C)
Boiling point
150–153 °C (at 16 Torr)
logP
0.25Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
32328-03-3
SMILES
CCOC(=O)CC(O)CC(=O)OCC
InChIKey
OLLQYIBTJXUEEX-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h7,10H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Pentanedioic acid, 3-hydroxy-, 1,5-diethyl ester
  • Pentanedioic acid, 3-hydroxy-, diethyl ester
  • Glutaric acid, 3-hydroxy-, diethyl ester
  • 3-Hydroxyglutaric acid diethyl ester
  • NSC 62681
  • Diethyl 3-hydroxypentanedioate
  • 1,5-Diethyl 3-hydroxypentanedioate

Work with Diethyl 3-hydroxyglutarate

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

Ethyl 4-chloro-3-hydroxybutyrate10488-69-476 % similar (±)-Ethyl 3-hydroxyhexanoate2305-25-176 % similar Ethyl (3S)-4-chloro-3-hydroxybutanoate86728-85-076 % similar Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate90866-33-476 % similar Ethyl (3S)-4-bromo-3-hydroxybutanoate95537-36-376 % similar Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-071 % similar Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-871 % similar Ethyl (3R)-3-hydroxybutanoate24915-95-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dipropanoylglycerol18373-31-4 Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside4099-85-8 Methyl-2,3-O-isopropylidene-D-ribofuranoside72402-14-3

Elsewhere

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