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
-1.5141 -0.3737 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1759 -0.0018 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2263 0.1466 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5755 0.5155 1.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2250 -0.1205 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7521 -0.5572 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5405 -0.4993 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9549 0.1905 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1352 0.7201 2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6275 0.6452 1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9888 0.4768 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2620 0.0525 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1676 -1.1947 -0.9266 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