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
    4.1146    0.1007    0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1262   -0.2172   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -1.0685   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -0.2868   -0.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4380   -0.7569    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5287   -1.9093    0.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844    0.1598   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082    0.4821   -1.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8901   -0.4352    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3106    1.4447    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    0.7138   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0590   -0.2859    1.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651    0.1568   -1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -1.3242    0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -2.0168   -0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624   -0.4393   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2851    1.3194   -1.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735    0.8325   -1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6367    0.3911    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1780   -1.2461   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7940   -0.8485    1.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7721    2.3094    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1912    1.5826    0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6334    1.3418    1.6894 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