Monomers
Isoprene
Identifiers
IUPAC name
2-methylbuta-1,3-diene
InchI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InchI Key
RRHGJUQNOFWUDK-UHFFFAOYSA-N
SMILES
C=CC(=C)C
Canonical SMILES
CC(=C)C=C
Isomeric SMILES
CC(=C)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8
Heavy Atom Count
5
Molecular Weight
68.119
Exact Molecular Weight
68.0626
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
13 12 0 0 0 0 0 0 0 0999 V2000
1.8230 0.8151 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9066 0.1306 0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -0.1874 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2434 -0.8747 0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7661 0.2242 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7908 1.0755 0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5806 1.1328 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1845 -0.1740 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0326 -1.2080 1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2301 -1.1450 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 1.2719 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1026 0.1638 -1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5448 -0.4336 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
3 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
4 9 1 0
4 10 1 0
5 11 1 0
5 12 1 0
5 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers