Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.2273    0.9648    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2825    0.5280   -0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330   -0.4104   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308    0.1175   -0.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1701   -0.6523    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0626   -1.8144    0.4411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5618   -0.1703   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274    1.0662    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -1.2787    0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8950    0.1880   -1.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    0.6474    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.6591   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986    0.8910   -1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -1.3674   -0.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225   -0.7176    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8601    1.5183    1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120    1.8245    0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4433    0.8222    1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905   -2.1469   -0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2561   -1.6286    1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5581   -0.9720    0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416   -0.6993   -2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1766    0.9167   -1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8866    0.7142   -1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers