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
1.9558 -0.2103 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9778 0.6728 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 0.2765 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 1.1663 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 -1.1399 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9715 0.1423 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8085 -1.2680 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2134 1.7291 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1040 2.1991 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4116 0.9165 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7744 -1.2775 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9465 -1.3926 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0840 -1.8143 -0.3489 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