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
    2.8771   -1.2628   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637   -0.6343   -1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484   -0.4643   -2.3149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784   -0.2297   -0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    0.3756   -0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429    0.7159    0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6804    1.9670    0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.3403    1.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881   -2.3590   -0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528   -0.8271    0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050   -1.0865   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3382    1.2433   -1.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853   -0.3145   -1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410    2.2088    1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4225    2.7649    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371    0.1226    2.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7519   -0.7247    1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9987   -1.1550    1.7612 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