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
    4.1481   -0.5670   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1693    0.2774    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735    0.6091   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    0.2248   -0.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    0.3887   -0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4106    0.8933   -1.8346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5781   -0.0563    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553    0.1634   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213    0.7548    1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722   -1.5031    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9358   -0.8057    0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1314   -1.0197   -1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812    0.7319    1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364    1.7306   -0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2160    0.1547   -1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442   -0.6734   -0.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983    1.0913   -0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697    0.2343   -1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918    1.0059    1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.1274    2.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1868    1.6859    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5491   -2.1437   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460   -1.5799    0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088   -1.7248    1.2946 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