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
1.5508 -0.9577 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8963 0.1763 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3340 0.4318 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9553 1.5864 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8306 -0.6519 0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 -1.7751 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4643 -1.1061 -1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2834 0.9600 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8807 1.7173 0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6405 2.3860 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2096 -1.4587 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6179 -0.3037 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -1.0044 1.4920 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