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
1.8884 -0.3110 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9517 0.6275 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 0.3121 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 1.2667 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8041 -1.1113 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9068 -0.0232 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5841 -1.3438 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2369 1.6785 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0491 2.2930 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.1026 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8703 -1.2637 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1820 -1.5339 -1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4802 -1.6933 0.6582 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