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
    4.1386    1.0745   -0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083    0.1219   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -0.2389   -0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9191   -0.0394   -0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2777   -0.3323   -0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198   -0.7657   -1.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976   -0.1384   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -1.0370    1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383   -0.5722   -0.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    1.2698    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172    1.3668    0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656    1.5907   -1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5238   -0.3653    0.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1998   -1.3536   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    0.2108   -1.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -1.2298    1.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0179   -1.9620    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8956   -0.5138    1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2611   -1.4608   -0.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3269   -0.7523   -1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5281    0.2241   -1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190    1.3873    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015    1.9680   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8671    1.5477    0.2252 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