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
1.7582 -0.7862 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1131 0.3075 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3283 0.3938 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0005 1.4792 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0398 -0.7813 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2257 -1.6210 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8199 -0.8764 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6872 1.1159 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0592 1.5526 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4821 2.3174 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7555 -1.7233 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 -0.8070 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1255 -0.5712 0.4132 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