3-Ethyl-3-methylpentanedioic acid
Properties
- Molecular formula
- C8H14O4
- Molar mass
- 174.20 g/mol
- Exact mass
- 174.0892 Da
- Melting point
- 87 °C
- Boiling point
- 261 °C
- logP
- 1.35Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 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
5345-01-7SMILES
CCC(C)(CC(=O)O)CC(=O)OInChIKey
XAWFHZMTJUGGEE-UHFFFAOYSA-NInChI
InChI=1S/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Pentanedioic acid, 3-ethyl-3-methyl-
- Glutaric acid, 3-ethyl-3-methyl-
- 3-Ethyl-3-methylglutaric acid
- NSC 2989
Reactions
Work with 3-Ethyl-3-methylpentanedioic acid
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,3-Dimethylbutanoic acid1070-83-354 % similar
Bemegride64-65-352 % similar
3-Hydroxy-3-methylglutaric acid503-49-150 % similar
3-Hydroxyisovaleric acid625-08-150 % similar
2,2-Dimethylsuccinic acid597-43-347 % similar
Propionic acid79-09-442 % similar
1,1-Cyclopentanediacetic acid16713-66-941 % similar
1-Methyl 2,2-dimethylbutanedioate32980-26-041 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds