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
1.7825 -0.8461 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0769 0.2276 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3240 0.3857 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9555 1.4762 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0580 -0.6777 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3572 -1.6833 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8164 -0.8875 0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5665 1.0406 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4048 2.2590 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0067 1.6150 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0323 -0.5341 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6826 -1.6889 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1357 -0.6865 -0.3887 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