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
1.5583 -0.9188 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6329 -0.0254 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3936 0.3401 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3263 1.2285 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3741 -0.3183 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5492 -1.3823 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3026 -1.1604 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6035 0.4612 1.9666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0629 1.4734 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3847 1.7352 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6548 -1.3789 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0997 0.2068 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 -0.2611 -1.7183 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