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
    3.0407    0.8698   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1656   -0.3996    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387   -1.4395    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8823   -1.0649   -0.2151 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -0.1598    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925    0.4093    1.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    0.1960   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    1.2214    0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -1.0629   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623    0.7090   -1.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596    1.3603   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9107    1.5399    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517   -0.7509    0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1275   -1.9602    1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175   -2.2281   -0.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890    1.5790    0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834    2.1121    0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050    0.7626    1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3858   -1.4242   -1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -1.9094    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1289   -0.9047    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9087    1.7574   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3156    0.7323   -1.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065    0.0551   -2.2935 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