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
    4.0080   -0.3106   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149    0.2096    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143   -0.3188   -0.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    0.0740    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2528    0.8677    1.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8513   -0.4229   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745   -1.2927   -1.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1613   -0.2006   -0.3990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    0.5842    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126    1.2409    1.3239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2963    0.7151    0.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7915   -0.1242    0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    0.2405   -1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203   -1.3863   -0.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6562   -0.0887    1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7402    1.3176    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485   -1.7477   -2.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -1.5654   -1.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7484   -0.1857    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5143    1.6492    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5355    0.7450    1.6168 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