3-Isobutylglutaric acid
Properties
- Molecular formula
- C9H16O4
- Molar mass
- 188.22 g/mol
- Exact mass
- 188.1049 Da
- Melting point
- 47 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 6
Hazards
Danger
- H318 Causes serious eye damage50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H361 Suspected of damaging fertility or the unborn child50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, P318, P337+P317, P405, P501
Identifiers
CAS number
75143-89-4SMILES
CC(C)CC(CC(=O)O)CC(=O)OInChIKey
UATSLDZQNXAKMA-UHFFFAOYSA-NInChI
InChI=1S/C9H16O4/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Pentanedioic acid, 3-(2-methylpropyl)-
- 3-(2-Methylpropyl)pentanedioic acid
- Isobutylglutaric acid
Work with 3-Isobutylglutaric acid
Similar compounds
3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-676 % similar
(R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-876 % similar
3-(Aminomethyl)-5-methylhexanoic acid128013-69-475 % similar
3-(Aminomethyl)-5-methylhexanoic acid130912-52-675 % similar
Pregabalin148553-50-875 % similar
3-Methylbutanoic acid503-74-267 % similar
L-Beta-homoleucine hydrochloride96386-92-456 % similar
Cyclopropylacetic acid5239-82-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.