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
-1.6869 -0.8238 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0318 0.2965 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3181 0.3985 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0073 1.5212 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9298 -0.7829 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6975 -0.8670 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2504 -1.6630 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4479 1.1872 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5415 2.3663 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0075 1.6450 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4862 -0.9763 -1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7908 -1.7054 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0333 -0.5964 -0.8079 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