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
1.6782 0.0831 1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1104 0.3870 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2898 0.0869 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8067 0.4111 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1235 -0.5682 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1084 -0.3972 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6987 0.3050 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7023 0.8668 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2166 0.8930 -2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8522 0.2032 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8252 -1.6490 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1957 -0.4808 0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9883 -0.1409 1.6270 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