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
    4.2515    0.0389    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143    0.8170    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980    0.5945   -0.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620    0.3220    0.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298    0.1019   -0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3191    0.1573   -1.8203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956   -0.1934    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720   -0.3760   -0.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721   -1.5041    0.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338    0.9109    1.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2188   -0.7620   -0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    0.1879    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2822    1.6226    0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1480   -0.2978   -1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846    1.5006   -1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860   -0.2162   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426   -1.3609   -1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4432    0.3781   -1.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3026   -2.0961    0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5336   -2.0778    0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1131   -1.2525    1.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    1.7273    0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9463    0.4869    2.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357    1.2910    0.8230 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