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
1.9699 -0.1109 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9069 -0.6003 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4324 -0.1550 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4453 -0.6730 0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7196 0.9073 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8851 0.6655 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9670 -0.4713 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 -1.3797 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2492 -1.4467 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4736 -0.3803 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7165 1.9234 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0194 0.9336 -1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7600 0.7874 -1.2054 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