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
    3.1471    0.4617    0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0467    0.0421   -0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7854   -0.5901   -0.7625 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850    0.0488   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072    1.2339   -0.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804   -0.5903   -0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7180   -1.8240   -1.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    0.0873   -0.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635    0.1219    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1233   -0.5160    1.5573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8220    0.9133    0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0252    0.0089    1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2455    0.1053    1.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387    1.5752    1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830    0.9257   -1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8191   -0.7158   -0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968   -2.3682   -1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439   -2.3638   -1.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5843    1.9928    0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3155    0.8515    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4745    0.6001   -0.2129 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