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
    3.2493    0.1365    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150    0.7262    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8679    1.9987    0.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.0232    0.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4819    0.7422   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6389   -0.1988   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380   -0.1298    0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390   -1.2348   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668    0.6990   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.9190    0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950    0.1592    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219    1.5384    0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    1.2468   -1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992    0.6047    1.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4488   -0.8352    0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -1.2445   -1.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4951   -1.0748   -1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157   -2.2380   -0.6150 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