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
-1.6046 0.7397 -0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 0.6582 -0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5262 -0.0789 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8075 -0.1278 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1216 -0.7719 1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1683 0.2673 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1466 1.3026 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1588 1.1893 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5111 -0.6419 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2598 0.3935 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3941 -0.0885 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5380 -1.6018 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0744 -1.2400 0.8171 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