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
1.8460 -0.2561 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 0.2475 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4984 0.1753 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6231 0.6742 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4349 -0.4836 -1.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8788 -0.7222 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7371 -0.1905 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6913 0.7202 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6072 1.1344 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 0.6475 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3900 -0.3990 -1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1832 -1.5475 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4101 -0.0001 -1.7790 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