loading...| Preferred Name |
isobutanol |
|
| Synonyms |
2-methylpropan-1-ol isobutanol isopropylcarbinol iso-butyl alcohol 1-hydroxymethylpropane 2-methylpropanol iso-C4H9OH 2-Methyl-1-propanol IBA 2-methyl-1-propanol isobutyl alcohol i-Butyl alcohol i-Butanol 1-Hydroxymethylpropane Isobutylalkohol |
|
| Definitions |
An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_46645 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24305546 KEGG:C14710 Gmelin:49282 Reaxys:1730878 Beilstein:1730878 Wikipedia:Isobutanol CAS:78-83-1 YMDB:YMDB00573 PMID:24430208 HMDB:HMDB0006006 |
|
| definition |
An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2. |
|
| formula |
C4H10O |
|
| has exact synonym |
2-methylpropan-1-ol isobutanol |
|
| has parent hydride | ||
| has role | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
isopropylcarbinol iso-butyl alcohol 1-hydroxymethylpropane 2-methylpropanol iso-C4H9OH 2-Methyl-1-propanol IBA 2-methyl-1-propanol isobutyl alcohol i-Butyl alcohol i-Butanol 1-Hydroxymethylpropane Isobutylalkohol |
|
| id |
CHEBI:46645 |
|
| in_subset | ||
| inchi |
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
|
| inchikey |
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
|
| label |
isobutanol |
|
| mass |
74.12160 |
|
| monoisotopicmass |
74.07316 |
|
| notation |
CHEBI:46645 |
|
| prefLabel |
isobutanol |
|
| smiles |
CC(C)CO |
|
| subClassOf |