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
    4.1601    0.0337    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395    0.3582   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7712    0.0430   -0.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035    0.2291   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473    0.6946   -1.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6950   -0.1112    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -0.5924    1.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393    0.0910   -0.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626   -0.1425    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768   -0.6166    1.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4454    0.1335   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051    0.6586   -0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9481    0.2066    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869   -1.0266   -0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158    1.4203   -1.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549   -0.2981   -1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   -0.7265    1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -0.8802    2.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1265    0.7562    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2694    0.6529   -1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9229   -0.8541   -0.6451 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