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
-1.9183 0.4076 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9920 -0.4543 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3960 -0.2836 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2783 -1.1688 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8479 0.8787 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9497 0.2859 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5948 1.2545 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3176 -1.3045 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3137 -1.0414 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0264 -2.0390 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 1.0023 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3838 1.8181 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5802 0.6444 -1.7477 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