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
1.7089 -0.8827 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8668 -0.2012 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3802 0.2763 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 0.9683 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6879 -0.0192 1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6301 -1.2243 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5414 -1.1278 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0886 0.0130 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9768 1.1655 -2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1642 1.3283 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1523 0.6853 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 0.0931 1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4461 -1.0747 1.4749 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