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
1.6165 -0.8015 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0508 0.3509 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 0.4322 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8454 1.5932 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0225 -0.8593 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 -1.7421 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6230 -0.8685 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5716 1.2725 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 2.5068 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8443 1.6469 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9598 -0.6925 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2910 -1.2499 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3954 -1.5887 0.9102 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