loading...| Preferred Name |
pivalic acid |
|
| Synonyms |
2,2-dimethylpropanoic acid PIVALIC ACID trimethylacetic acid acide pivalique tert-pentanoic acid 2,2-dimethylpropionic acid dimethylpropionic acid Pivalinsaeure neopentanoic acid acide 2,2-dimethylpropanoique alpha,alpha-dimethylpropionic acid acido pivalico |
|
| Definitions |
A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45133 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:75-98-9 Reaxys:969480 PMID:17724113 PDBeChem:PIV Beilstein:969480 PMID:21509470 PMID:22566287 HMDB:HMDB0041992 LIPID_MAPS_instance:LMFA01020073 PMID:16430936 Gmelin:82375 PMID:22790609 Wikipedia:Pivalic_acid |
|
| definition |
A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. |
|
| formula |
C5H10O2 |
|
| has_alternative_id |
CHEBI:35815 CHEBI:45132 |
|
| has_exact_synonym |
2,2-dimethylpropanoic acid PIVALIC ACID |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
trimethylacetic acid acide pivalique tert-pentanoic acid 2,2-dimethylpropionic acid dimethylpropionic acid Pivalinsaeure neopentanoic acid acide 2,2-dimethylpropanoique alpha,alpha-dimethylpropionic acid acido pivalico |
|
| id |
CHEBI:45133 |
|
| in_subset | ||
| inchi |
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) |
|
| inchikey |
IUGYQRQAERSCNH-UHFFFAOYSA-N |
|
| is_conjugate_acid_of | ||
| label |
pivalic acid |
|
| mass |
102.13170 |
|
| monoisotopicmass |
102.06808 |
|
| notation |
CHEBI:45133 |
|
| prefLabel |
pivalic acid |
|
| smiles |
CC(C)(C)C(O)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_39417 |