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
    3.2726    0.9055   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948   -0.5451   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -0.9703    0.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291   -0.4599   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5927    0.4560   -1.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7403   -0.9712    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934   -1.9351    0.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9398   -0.4567   -0.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    0.6168    0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0703    1.1496    1.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747    1.1714   -0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3867    1.0010    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203    1.5502   -0.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8234    1.2678    0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7443   -1.1551    0.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1957   -0.7314   -1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351   -2.3390    1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222   -2.3316    1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8578    2.2488   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6722    0.8585    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1587    0.6696   -1.2711 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