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
1.7703 -0.4859 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 -0.0944 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3723 0.1594 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0619 0.5466 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9769 -0.0231 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3361 -0.6200 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8254 -0.6788 0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5049 0.0344 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6222 0.6763 -2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1086 0.7374 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3628 0.4609 1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 0.3785 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9995 -1.0913 1.2232 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