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
1.8720 -0.4051 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6681 -0.9264 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4695 -0.1317 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6349 -0.7159 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 1.3132 -0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9918 0.6535 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 -1.0076 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5670 -1.9979 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7254 -1.7657 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5302 -0.1905 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3345 1.8406 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0723 1.4927 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 1.8407 -0.2423 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