4-tert-Butylcyclohexanecarboxylic acid
Properties
- Molecular formula
- C11H20O2
- Molar mass
- 184.28 g/mol
- Exact mass
- 184.1463 Da
- logP
- 2.92Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 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
5451-55-8SMILES
CC(C)(C)C1CCC(C(=O)O)CC1InChIKey
QVQKEGYITJBHRQ-UHFFFAOYSA-NInChI
InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-
- Cyclohexanecarboxylic acid, 4-tert-butyl-
- 4-(1,1-Dimethylethyl)cyclohexanecarboxylic acid
- NSC 176105
- NSC 176107
- NSC 48094
- 4-tert-Butylcyclohexane-1-carboxylic acid
- 4-tert-Butylcyclohexanoic acid
Work with 4-tert-Butylcyclohexanecarboxylic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,4-Cyclohexanedicarboxylic acid1076-97-763 % similar
Cyclopropanecarboxylic acid1759-53-163 % similar
1,4-Cyclohexanedicarboxylic acid619-81-863 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-963 % similar
4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-360 % similar
4-(Trifluoromethyl)cyclohexanecarboxylic acid95233-30-060 % similar
Cyclopentanecarboxylic acid3400-45-158 % similar
Cyclobutanecarboxylic acid3721-95-758 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.