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
    3.2633    0.9959    0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317    0.3009   -0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8202   -0.5217   -0.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5807   -0.0897   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407    1.1401    0.1997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -0.9659    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -2.2803   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7587   -0.3935    0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6972    0.0556   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3906   -0.0906   -1.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9939    0.6755    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    0.4909    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031    2.0799    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    0.8719    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    1.1179   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8078   -0.2486   -1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704   -2.7218   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032   -2.9392    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3115    0.3399    1.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9370    1.7820    0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7267    0.4008   -0.6868 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