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
    4.0103    0.4969    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9378   -0.2030    0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -0.7778   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7772   -0.3081   -0.7257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997   -0.4555    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824   -1.0561    1.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969    0.0514    0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387   -0.2424    1.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650   -0.5878   -0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5339    1.5518    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3326    0.6835   -0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313    0.9261    0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528   -0.3649    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -0.4712   -1.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1613   -1.8906   -0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9186   -1.1268    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    0.6192    1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4907   -0.3949    2.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0211    0.0180   -1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157   -0.5650   -1.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381   -1.6154   -0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694    2.1242    0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6248    1.8232    0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1464    1.7653   -0.9808 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