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
    3.3401    0.5843   -1.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085    0.6789    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7809   -0.1732    0.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930   -0.0209   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5137    0.9084   -0.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494   -0.8924    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559   -1.8594    1.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220   -0.7001   -0.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    0.1128   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6266    0.7327    0.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0147    0.3031   -0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3456    1.0639   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6779    1.1370   -1.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -0.4997   -1.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773    1.7355    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7642    0.3217    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3088   -2.4897    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -1.9846    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0230    1.2594   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1368   -0.4949   -1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8653    0.2771   -0.1817 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