Preferred Name |
neopentyl glycol |
|
Synonyms |
neopentyl glycol 2,2-dimethylpropane-1,3-diol neopentanediol neopentylglycol 2,2-dimethyl-1,3-propanediol 1,3-dihydroxy-2,2-dimethylpropane NPG glycol NPG |
|
Definitions |
A propane-1,3-diol carrying two methyl groups at position 2. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_143768 |
|
charge |
0 |
|
database_cross_reference |
PMID:30918372 CAS:126-30-7 Beilstein:605291 PMID:31000715 Wikipedia:Neopentyl_glycol |
|
definition |
A propane-1,3-diol carrying two methyl groups at position 2. |
|
formula |
C5H12O2 |
|
has_exact_synonym |
neopentyl glycol 2,2-dimethylpropane-1,3-diol |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
neopentanediol neopentylglycol 2,2-dimethyl-1,3-propanediol 1,3-dihydroxy-2,2-dimethylpropane NPG glycol NPG |
|
id |
CHEBI:143768 |
|
in_subset | ||
inchi |
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3 |
|
inchikey |
SLCVBVWXLSEKPL-UHFFFAOYSA-N |
|
label |
neopentyl glycol |
|
mass |
104.149 |
|
monoisotopicmass |
104.08373 |
|
notation |
CHEBI:143768 |
|
prefLabel |
neopentyl glycol |
|
smiles |
OCC(CO)(C)C |
|
treeView | ||
subClassOf |
Create mapping
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://purl.obolibrary.org/obo/CHEBI_143768 | PDRO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_143768 | BERO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_143768 | DRON | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_143768 | PDRO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_143768 | BERO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_143768 | DRON | LOOM | |
http://purl.bioontology.org/ontology/RXNORM/1368162 | RXNORM | LOOM |