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
    3.1822    0.5993   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.0468   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    0.5427   -0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7163   -0.7866   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6304   -1.6453   -0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704   -1.2205   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9907   -2.5006   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.2875   -0.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3132    0.2533    0.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9677   -0.1305    1.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3725    1.2520    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2343    0.4862   -0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    1.3224   -1.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -0.3916   -1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    2.1534   -0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8280    0.8164    0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0100   -2.8132   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2170   -3.2411   -0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727    2.1370    1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3714    0.7709    0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588    1.6364   -0.3794 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