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
1.9986 0.8757 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0356 -0.0844 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3204 0.3042 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.6150 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9509 -1.3699 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7338 1.7722 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9792 0.6656 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 -0.9783 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3905 0.7030 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1550 1.7902 0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 -1.7339 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 -1.1168 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 -1.4426 -1.1808 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