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
    3.3237   -0.4342    1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.5211    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.9514   -0.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804    0.2461    0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2396    0.5831   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2978    1.4852   -1.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4670   -0.1457   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670    0.0690    1.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6364    0.3563   -0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486   -1.6434   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782   -0.7175    1.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302   -0.9420    1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752    1.0171    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046    0.8588   -1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9118    2.0371   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6961   -0.1394    1.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -0.6470    1.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496    1.0794    1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.2331   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7456    1.4259   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3697    0.2440   -1.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6305   -1.9838    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7532   -1.8317   -1.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273   -2.1568   -0.2251 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