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
    4.2468   -0.5916   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734   -0.1093   -0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670    0.6709   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829    0.0320   -0.2294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185    0.5785    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    1.6487    1.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5582   -0.0128    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0477   -0.1062   -1.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022   -1.3823    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5055    0.9126    1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9611   -1.1533   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4600   -0.4577    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0641   -0.3069   -2.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.6475    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411    1.6845   -0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -1.0356   -1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -0.1974   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396    0.7871   -1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559   -1.5894    1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -1.3856    1.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522   -2.1366    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187    1.3735    2.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.7374    0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373    0.3920    1.4456 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