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
1.6007 -0.9997 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0526 0.1996 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2594 0.4305 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7612 1.6447 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.6650 0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0811 -1.8468 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5743 -1.1853 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6069 1.0129 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 1.7874 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2044 2.4742 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8212 -0.2384 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 -1.2114 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4279 -1.4025 1.1868 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