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
1.8288 -0.7640 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0848 0.2259 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3432 0.3494 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 1.3691 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0185 -0.6606 -0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 -1.5226 -0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8531 -0.8244 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5285 0.9893 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0841 1.4596 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 2.1011 1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6275 -1.6970 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8935 -0.3368 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1205 -0.6890 -0.5319 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