Isoprene
Isoprene synonyms
beta-methylbivinyl; Isopentadiene; 3-Methyl-1,3-butadiene; beta-Methylbivinyl; 2-methyl-1,3-butadiene; isopentadiene; 1,3-butadiene, 2-methyl-; CH2=C(CH3)CH=CH2; 2-methyldivinyl; 2-Methylbutadiene; 1,3-Butadiene, 2-methyl-
Graphical representations:
View large 3D structure
Molecular Formula: C5H8
Natural Isotopic Abundance Mass: 68.11702
Mono-Isotopic Molecular Masses:
- C12N14: 68.0626002568
- C13N14: 73.0793744458
- C12N15: 68.0626002568
- C13N15: 73.0793744458
InChI string: InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
PubChem Compound (CID): 6557CAS Registry number: 78-79-5
Beilstein Registry Number: 969158
MDL number: MFCD00008600
CAS Registry number: 823271-95-0 78006-92-5 78-79-5
Sigma-Aldrich: 464953_ALDRICH
EPA DSSTox: 33586
ChEBI: CHEBI:35194
HSDB: 620
BioCyc: CPD-9436
ChemIDplus: 000078795
ChemSpider: 13470775
EINECS: 201-143-3
CCRIS: 6253
NMRShiftDB: 10016438
KEGG Compound ID: C16521
NIST Chemistry WebBook: 459890044
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)