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
1.6103 -1.0289 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1117 -0.0651 -0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2670 0.3669 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7132 1.3237 -1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1362 -0.2395 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9766 -1.4965 1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6277 -1.3798 0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7726 0.3617 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1156 1.7941 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 1.6550 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0301 -1.3636 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 0.1184 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2126 -0.0462 0.5924 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