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
1.2314 -0.8092 -1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8109 -0.8430 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 0.0419 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5854 -0.0370 1.7297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8385 1.0348 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9976 -1.4932 -1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8044 -0.1013 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2616 -1.5708 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3562 0.6131 2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1464 -0.7512 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1019 1.8227 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1619 0.5497 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7035 1.5436 0.0233 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