Monomers

2-Propenoic acid, 2-(acetyloxy)-, ethyl ester

Identifiers

IUPAC name
ethyl 2-acetyloxyprop-2-enoate
InchI
InChI=1S/C7H10O4/c1-4-10-7(9)5(2)11-6(3)8/h2,4H2,1,3H3
InchI Key
UMSUVRQADXVIDD-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)OC(=O)C
Canonical SMILES
CCOC(=O)C(=C)OC(=O)C
Isomeric SMILES
CCOC(=O)C(=C)OC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O4
Heavy Atom Count
11
Molecular Weight
158.153
Exact Molecular Weight
158.0579
Valence Electrons
62
Radical Electrons
0
tPSA
52.6
MolLogP
0.6263
H Bond Acceptors
4
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

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.5285   -0.1014    0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9346    0.5462   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    0.0450   -0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730    0.1239   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6967    0.6667    1.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132   -0.4341   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8628   -1.0177   -1.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385   -0.3798    0.3599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7184    0.6906    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4325    1.6053   -0.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9195    0.8195    1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6503   -0.0452    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2774   -1.1590    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2659    0.4770    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5831    0.2424   -1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    1.6467   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910   -1.4351   -1.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0054   -1.0734   -2.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4164   -0.1698    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116    1.3621    2.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882    1.3721    0.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers