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
1.8630 -0.5368 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0869 0.5353 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3443 0.3557 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1294 1.4092 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9784 -0.9956 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9315 -0.4098 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4692 -1.5230 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5178 1.5197 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6956 2.3933 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 1.3332 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4317 -1.7347 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0687 -1.4000 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0147 -0.9466 0.4073 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