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
    3.6817    0.1784   -0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470   -0.8119   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997   -0.9132    1.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999   -0.8804    0.8874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0357    0.1858    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391    1.1559   -0.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169    0.2408    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -0.8846   -0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    0.0684    1.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116    1.5349   -0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    0.9268    0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    0.3115   -1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7109   -1.5495   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518   -0.1236    1.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048   -1.8773    1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5737   -0.7255   -1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0200   -0.8227   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5334   -1.8753   -0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066    0.9196    2.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1871    0.1615    1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531   -0.8837    1.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007    1.9743   -0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    1.4066   -1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880    2.2830   -0.4161 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