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
   -3.4304   -1.1712   -0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6495    0.0196   -1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -0.0234   -0.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656   -0.0528    0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7257   -0.0409    1.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5613   -0.0978    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333   -0.1224    2.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5005   -0.1108   -0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341   -0.1489    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195   -0.1802    1.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7430   -0.1583   -1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552   -1.2998   -1.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7223   -0.9864    0.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080   -2.0647   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1407    0.9527   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085   -0.0323   -2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -0.1096    2.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212   -0.1552    2.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5217    0.6322   -1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731    0.0997   -2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680   -1.1164   -1.2694 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