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
   -2.9923    0.5908    0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2427    1.3412   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9903    0.7785   -0.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8044   -0.4875   -0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509   -1.1944   -1.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.0216   -1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -2.2306   -1.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -0.2040   -0.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -0.1382    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534   -0.8689    1.1386 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972    0.7733    0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6811   -0.1816    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6789    1.3283    1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3544    0.1769    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8918    1.4882   -0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0303    2.3673    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1376   -2.9239   -1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633   -2.6064   -1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2665    1.6459    0.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703    1.1395   -0.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3702    0.2271    0.7513 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