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
1.5932 -0.1987 1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9403 0.6278 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3046 0.2609 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9129 1.1106 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 -1.0743 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 0.1423 1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1836 -1.1649 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3255 1.6243 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8557 0.8990 -1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4974 2.1050 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -1.1383 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1070 -1.8878 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5928 -1.3061 -0.8856 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