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
1.8610 -0.0139 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 -0.6199 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3743 -0.1846 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2220 -0.7823 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8582 0.9418 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5432 0.8024 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9036 -0.2941 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3200 -1.4353 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2489 -0.4565 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8760 -1.5953 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4461 0.8802 -1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9590 0.8380 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6541 1.9195 -0.0954 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