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
    4.2130    0.2586   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1885   -0.5753   -0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961   -0.5620    0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8409   -0.2764   -0.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2140    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2460   -0.4141    1.7577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    0.0835   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8497   -0.9905   -1.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370    1.4534   -0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7407    0.2288    0.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016    0.2267   -1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2977    0.9869    0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1744   -1.2702   -1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -1.5769    0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2879    0.2176    1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6871   -1.9720   -0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116   -0.8800   -2.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742   -0.9308   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    2.1278   -0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4485    1.8242   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.3551   -1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9320   -0.7472    1.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6122    0.6357    0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4506    1.0110    1.5352 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