loading...| Preferred Name |
isoprene |
|
| Synonyms |
CH2=C(CH3)CH=CH2 2-methyl-1,3-butadiene beta-methylbivinyl isopentadiene isopreno isoterpene 2-Methyl-1,3-butadiene Isopren 2-methylbutadiene 2-methyldivinyl 2-methylbuta-1,3-diene isoprene |
|
| Definitions |
A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_35194 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:19011917 CAS:78-79-5 KEGG:C16521 Wikipedia:Isoprene Gmelin:1768 PMID:8690002 PMID:17921528 Reaxys:969158 Beilstein:969158 MetaCyc:CPD-9436 |
|
| definition |
A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. |
|
| formula |
C5H8 |
|
| has role | ||
| has_exact_synonym |
2-methylbuta-1,3-diene isoprene |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
CH2=C(CH3)CH=CH2 2-methyl-1,3-butadiene beta-methylbivinyl isopentadiene isopreno isoterpene 2-Methyl-1,3-butadiene Isopren 2-methylbutadiene 2-methyldivinyl |
|
| id |
CHEBI:35194 |
|
| in_subset | ||
| inchi |
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 |
|
| inchikey |
RRHGJUQNOFWUDK-UHFFFAOYSA-N |
|
| label |
isoprene |
|
| mass |
68.11702 |
|
| monoisotopicmass |
68.06260 |
|
| notation |
CHEBI:35194 |
|
| prefLabel |
isoprene |
|
| smiles |
CC(=C)C=C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_134179 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_134179 |