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
    3.2706   -0.1316    1.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4610    0.2348    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081    0.3990   -0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0809    0.1106   -0.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394    0.1916   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065    0.5315   -1.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4312   -0.0946   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5425    0.0910   -1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    0.8591    1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196   -1.4944    0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614   -0.3138    1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0791   -0.2589    2.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    0.4100   -0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964    1.4400   -1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.2691   -1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2411    0.9453   -1.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233   -0.7872   -1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5237    0.2616   -0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163    1.4550    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316    0.3235    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4567    1.5937    0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6381   -2.2322   -0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788   -1.5342    0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005   -1.7306    1.1021 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