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
1.7172 -0.5934 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 0.4625 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3286 0.3780 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 1.4588 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0177 -0.9149 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2561 -1.5919 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7353 -0.5286 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5896 1.4239 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 2.4008 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 1.4066 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 -0.8273 -0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5928 -1.6347 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9595 -1.4397 0.8011 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