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
1.8001 -1.2495 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8178 -0.6577 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4261 0.0919 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4499 -0.6167 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6765 1.4850 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8277 -2.3777 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 -1.0256 -0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4459 0.5419 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3281 -1.6580 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4012 -0.1889 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3311 1.8802 0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2236 2.1259 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2881 1.6490 -1.0833 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