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
    3.7522    0.5798    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -0.3233   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.2399    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230   -1.1092    0.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    0.0584    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    1.0386    0.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    0.1975    0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    1.5671    0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472   -0.0735   -1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1983   -0.8450    1.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8571    0.6738    1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339    1.2361   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8512   -0.3840   -1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -0.9978    1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658   -2.2748    0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3349    2.0578    1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252    2.1848   -0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9974    1.4589    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129   -0.3453   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213    0.7738   -1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1425   -0.9876   -1.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7449   -1.8318    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -0.7843    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0197   -0.6302    2.2075 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