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
1.9055 -0.1296 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8249 -0.8487 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4674 -0.2053 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5484 -0.8980 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 1.2189 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8622 0.9085 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8556 -0.6187 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8990 -1.9179 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 -1.9360 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5409 -0.4646 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5918 1.5301 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 1.8746 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 1.4865 1.1395 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