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
    2.7580   -1.4030    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.1871   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3596    0.9332   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0011    0.7065   -0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148    0.3419    0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.2065    1.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3361    0.1162    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091    1.3517   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.2637    1.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434   -0.9915   -0.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317   -1.7259    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4544   -2.2096    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2644   -0.0014   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973    1.8117    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    1.2680   -1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235    2.2921   -0.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8873    1.3160   -1.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    1.3404   -0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1123   -0.2115    1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6982    0.4158    2.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7291   -1.3083    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6751   -1.0750   -1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7563   -1.9379   -0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4358   -0.7852   -1.5519 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