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
1.6070 0.8176 -0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8522 -0.2181 -0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3691 -0.3827 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1379 -1.4126 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6878 0.6469 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3169 1.5202 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5169 0.9584 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1086 -0.9638 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8911 -2.1435 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0558 -1.5007 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6523 0.3993 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7488 1.6155 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1412 0.6636 1.7243 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