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
    2.8839   -0.6724    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770   -0.0088    0.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0393    0.0912    1.4975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9233    0.5326   -0.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3113    1.1683   -0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493    0.2936    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065    0.5998    1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7549   -0.9193   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1294   -1.4151    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7128    0.0778    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951   -1.1883   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1652    2.1015    0.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077    1.5532   -1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066    1.5053    1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786    0.0092    1.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8927   -1.5164   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3453   -1.5982   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427   -0.6139   -1.5233 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