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
    3.0388    1.3548   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    0.0084   -0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163   -0.1455   -0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5126   -1.2876   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429   -2.1768   -1.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8347   -1.4512    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5852   -2.5031   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4198   -0.4361    0.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1231    0.5810    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2533    0.6229   -1.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7271    1.6336    1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706    1.5694   -0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654    1.3171    0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    2.1422   -0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120   -0.0612   -1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.8241   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879   -2.5837    0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2266   -3.3402   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0137    2.3975    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    1.1160    1.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6390    2.0668    0.6050 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