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
    2.8010    0.2803   -1.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6193    1.5357   -0.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    2.1434   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.2939   -0.3933 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980    0.1911    0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -0.0685    1.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0821   -0.6866    0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9086   -1.7810    1.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2838    0.1956    0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779   -1.2488   -0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0185   -0.4683   -1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8098   -0.0650   -1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    2.2076   -0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    2.6262    0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    2.9857   -1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043   -2.3550    1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6570   -1.3391    2.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674   -2.4587    1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2062   -0.3138    0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1694    1.1081    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990    0.4499    1.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8808   -2.2491   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945   -1.3747   -1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026   -0.6089   -1.5074 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