Monomers

2-Methylallyl acetate

Identifiers

IUPAC name
2-methylprop-2-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
InchI Key
IVKYUXHYUAMPMT-UHFFFAOYSA-N
SMILES
CC(=O)OCC(=C)C
Canonical SMILES
CC(=C)COC(=O)C
Isomeric SMILES
CC(=C)COC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.1212   -0.8975    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626   -0.0749   -0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842    0.7324   -1.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485   -0.1634   -0.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245    0.6454   -0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784    0.4238   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2205    1.4334    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1783   -0.9224   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380   -1.6459    0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -1.3847   -0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.2978    0.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    1.7034   -0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2806    0.4485   -1.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7947    2.4285    0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161    1.3138    0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -1.7093   -0.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459   -1.1291    0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9607   -0.9042   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers