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
1.9320 0.1791 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9632 -0.4792 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 -0.2144 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3693 -0.9122 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7914 0.8673 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9533 -0.0539 0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6863 0.9572 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 -1.2760 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4213 -0.7443 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0583 -1.6852 -1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2684 1.8284 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5140 0.5099 1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8923 1.0231 0.9021 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