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
1.4432 0.3909 -1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 -0.4694 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2293 -0.3041 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.1672 1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0723 0.8904 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3675 0.3137 -1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 1.2350 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6927 -1.3153 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5781 -1.0196 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0320 -2.0136 1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4611 1.7929 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3344 0.7717 -0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 0.8947 0.8070 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