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
1.4729 -1.2018 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0071 -0.1763 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2402 0.4053 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7379 1.4429 -0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9723 -0.1615 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4074 -1.6619 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9570 -1.6388 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5533 0.2183 -1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2401 1.8937 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6754 1.9011 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8367 0.4601 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3115 -0.3330 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 -1.1481 0.6031 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