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
    4.2558    0.3330    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982   -0.4483   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060    0.1479   -0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -0.2091   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122    0.2457   -0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670    0.9895   -1.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -0.0734    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564    0.5777   -0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061    0.5188    1.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -1.5620    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1720    1.3949    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1280   -0.1083    0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3573   -1.5425   -0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277    1.2460   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396   -0.2049   -1.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0381    1.5568   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6742   -0.0448   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    0.7834   -1.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5909    1.6299    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    0.3438    1.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897    0.1566    2.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412   -1.6953    0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883   -1.9224    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -2.1132   -0.6551 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