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
1.6524 -0.9576 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 0.1412 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3240 0.4055 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9480 1.5010 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9436 -0.5623 -0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2134 -1.6653 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6214 -1.1200 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4390 0.8353 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4718 2.1705 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9268 1.7048 0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8244 -1.5780 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4454 -0.4749 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0403 -0.4002 -0.9615 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