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
1.9229 0.1308 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9778 0.3087 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4112 0.0462 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3126 0.2283 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8288 -0.4325 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9449 0.3408 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7134 -0.2154 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2660 0.6662 1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0035 0.5788 2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3702 0.0461 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7412 -1.5558 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9116 -0.1696 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2458 0.0274 -1.8580 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