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
2.1062 -0.4868 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8279 -0.5985 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 0.4094 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9617 1.2989 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 -0.5950 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3393 0.4059 -0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8507 -1.2516 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6958 -1.5490 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6271 2.0058 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0911 2.1461 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3303 -0.0415 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0106 -1.5204 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1975 -0.2233 -0.0878 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