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
    3.5110   -0.0776    0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560   -0.7964   -0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002   -1.1131   -0.2913 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -0.1663   -0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    1.0261    0.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8159   -0.5707    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -1.8425    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8293    0.3428    0.5570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5769    0.8733   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    0.5114   -1.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6851    1.8601   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935   -0.0115    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3745   -0.6973    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1413    0.9423    0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -1.7483   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583   -0.1952   -1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -2.5716    0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1529   -2.2029    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9343    2.3501   -1.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5646    1.3936    0.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385    2.6936    0.4319 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