ETC 1002
Properties
- Molecular formula
- C19H36O5
- Molar mass
- 344.49 g/mol
- Exact mass
- 344.2563 Da
- logP
- 4.47Crippen estimate
- Polar surface area
- 94.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 14
Hazards
Danger
- H302 Harmful if swallowed33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H360D May damage the unborn child33.3% of notifiers
- H361d Suspected of damaging the unborn child33.3% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure33.3% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P319, P330, P337+P317, P405, P501
Identifiers
CAS number
738606-46-7SMILES
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)OInChIKey
HYHMLYSLQUKXKP-UHFFFAOYSA-NInChI
InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Pentadecanedioic acid, 8-hydroxy-2,2,14,14-tetramethyl-
- 8-Hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
- ESP 55016
- Bempedoic acid
- Nilemdo
- Nexletol
Work with ETC 1002
Similar compounds
2,2,6,6-Tetramethylpimelic acid2941-45-963 % similar
2,2-Dimethylnonanoic acid14250-75-062 % similar
2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid413624-71-260 % similar
2,2-Dimethylhexanoic acid813-72-956 % similar
2,2-Dimethylpentanoic acid1185-39-350 % similar
2,2-Dimethylglutaric acid681-57-247 % similar
1-Methylcyclohexanecarboxylic acid1123-25-747 % similar
Hydroxypivalic acid4835-90-944 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.