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
1.1682 -1.5243 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0137 -0.3786 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1291 0.4595 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2633 1.5913 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 0.0238 0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0018 -2.1898 -0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4415 -1.8459 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7383 -0.0549 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 2.2225 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4779 1.9140 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4379 -1.0416 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0088 0.7093 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7476 0.1146 1.8356 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