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
1.9551 0.1649 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9526 -0.5305 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4404 -0.2248 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3722 -0.9744 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7666 0.9279 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9636 -0.1103 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7454 1.0047 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1935 -1.3844 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4358 -0.8176 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0957 -1.8019 -1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1216 1.8077 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 1.2813 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 0.6575 1.7433 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