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
    3.9756    0.5016    0.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    0.0710   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    0.9795   -0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568    1.0035   -0.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0705   -0.1820   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829   -1.2223   -0.7807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4516   -0.2832    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881    0.1016    1.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902    0.6822   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9508   -1.6920   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6238   -0.1761    1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842    1.5706    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -0.9900   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    1.9842   -0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    0.5869   -1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868    1.1668    1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400   -0.2893    2.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -0.4370    1.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6453    1.5147   -1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6254    0.1174   -1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1067    1.1300   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472   -2.3405    0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0532   -1.7737   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5532   -2.0241   -1.0533 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