3-(1,1-Dimethylethyl)hexanedioic acid
Properties
- Molecular formula
- C10H18O4
- Molar mass
- 202.25 g/mol
- Exact mass
- 202.1205 Da
- Melting point
- 117 °C
- logP
- 1.99Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
10347-88-3SMILES
CC(C)(C)C(CCC(=O)O)CC(=O)OInChIKey
LHSCNQRBIIDZCB-UHFFFAOYSA-NInChI
InChI=1S/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Hexanedioic acid, 3-(1,1-dimethylethyl)-
- Hexanedioic acid, 3-tert-butyl-
- 3-tert-Butyladipic acid
- 3-tert-Butyl-1,6-hexanedioic acid
- 3-tert-Butylhexanedioic acid
- NSC 158330
Work with 3-(1,1-Dimethylethyl)hexanedioic acid
Similar compounds
(+-)-3-Methyladipic acid3058-01-353 % similar
4-Methylpentanoic acid646-07-148 % similar
4-tert-Butylcyclohexanone98-53-348 % similar
(S)-3-Aminohexanedioic acid hydrochloride61884-74-044 % similar
Cypionic acid140-77-244 % similar
Cyclopropylacetic acid5239-82-743 % similar
4-Methyloctanoic acid54947-74-943 % similar
2-Methylglutaric acid18069-17-543 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds