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
1.8403 -0.6356 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0701 0.3188 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 0.3294 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0610 1.3214 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0043 -0.7566 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9033 -0.6121 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3897 -1.4265 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 1.1138 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1209 1.3511 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5709 2.0958 -1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1502 -1.6839 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0162 -0.3931 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4273 -1.0225 1.5385 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