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
    3.4915   -0.9031   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636   -0.0031    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751    1.1236   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993    1.0485    0.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117   -0.0502   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5418   -0.9996   -0.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176   -0.0410    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0173   -1.3533   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    0.0296    1.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0733    1.1439   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974   -0.8101   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021   -1.7332    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -0.1065    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    1.0780   -1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    2.1094    0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936   -1.3369   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127   -1.6416    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2497   -2.1378    0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181   -0.9285    2.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639    0.2966    2.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3353    0.7969    2.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160    1.8471   -0.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7300    0.8447   -1.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832    1.7266    0.3345 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