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
1.7540 -0.7735 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4978 -1.0664 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5249 -0.0386 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7727 -0.3410 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1575 1.3413 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5368 -1.5114 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0716 0.2265 -0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2648 -2.0913 0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0192 -1.3478 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5322 0.4138 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0316 1.9510 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5793 1.3596 -1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3338 1.8777 0.5413 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