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
1.9953 -0.1922 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0094 0.6092 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3991 0.2159 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2985 1.1167 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -1.0858 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0014 0.1335 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7789 -1.1785 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 1.6087 0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 2.1249 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3614 0.9304 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 -0.9176 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2338 -1.7149 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1362 -1.6503 -0.9723 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