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
   -3.0411   -1.4274    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892   -0.0719    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736    0.0939    0.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    1.2585   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    2.2017   -0.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    1.4720    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    2.6280   -0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6392    0.4152    0.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727   -0.5046   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529   -0.3217   -1.5495 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9770   -1.6689    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1644   -2.0597   -0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9770   -1.3199    1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710   -1.8755    1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9050    0.2112   -0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417    0.7045    0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184    3.3957   -0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5259    2.8034   -0.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -1.4367    1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -2.5485    0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409   -1.9493   -0.7009 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