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
    3.2651    0.4848   -0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052    0.1233    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3350   -0.2283    1.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038    0.1632   -0.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187   -0.2041    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677   -0.1232   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7487    0.2479   -1.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7305   -0.4837    0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916    0.0758   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121    0.1179   -1.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3186    1.5976   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134    0.4739    1.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0901   -1.2528    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7576    0.2813   -1.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435    0.5207   -2.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956   -1.4886    1.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6639   -0.5894    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8019    0.2837    1.5385 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