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
    3.9907    0.0754   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8305   -0.4057   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998   -1.2149    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7297   -0.6323    0.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -0.3775   -0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970   -0.6667   -1.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842    0.2443    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437    1.5675    0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749    0.5039   -1.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962   -0.6746    0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -0.1359    0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199    0.6735   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062   -0.1893   -1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2621    1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045   -2.2458   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062    1.3258    1.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279    2.0837    1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5859    2.1715   -0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808    0.7697   -0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570    1.4067   -1.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712   -0.3496   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2578   -0.3634    1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550   -0.5945    1.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -1.7096    0.6237 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