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
1.8723 0.1165 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7715 0.8316 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4575 0.2116 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5501 0.9337 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5018 -1.2391 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8910 -0.9490 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8049 0.5699 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8180 1.8945 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4842 0.4777 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5986 1.9940 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5366 -1.7909 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 -1.5986 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4256 -1.4519 0.9493 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