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
-1.8565 -0.6692 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1133 0.3898 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3168 0.3573 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 1.4698 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0629 -0.9160 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4053 -1.6370 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9046 -0.5973 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5844 1.3808 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5386 2.4594 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0675 1.4828 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4925 -1.1933 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 -0.7846 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4536 -1.7425 -0.4239 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