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
    3.9576    0.5574   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290    0.0294   -0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0974   -1.0062    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7704   -0.6185    0.4478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1359   -0.2917   -0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754   -0.3578   -1.7337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.1025   -0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -1.0762    0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3808    1.2316    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    0.4995   -1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3561    0.2151    0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144    1.3190   -0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753    0.4156   -1.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165   -1.1794    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -1.9967   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -1.3152    1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303   -0.7528    1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -1.9441   -0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2155    2.2111    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878    0.9843    1.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    1.2061    1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1176    1.5048   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254    0.4889   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042   -0.2266   -2.1246 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