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
0.8494 1.7612 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9958 0.5154 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0246 -0.5000 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1613 -1.7314 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2529 -0.1831 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5588 2.5394 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 2.0176 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8951 0.2879 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5889 -2.4699 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0584 -1.9666 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9517 -0.0952 -1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9836 -0.9913 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6772 0.8160 -0.4662 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