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
    3.9459    0.1553   -0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.9376   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6645   -0.0430   -0.0482 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3695    0.3196    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1622    1.5408    0.4848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656   -0.6915    0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4227   -1.9680    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502   -0.3076    0.7593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8336    0.0115   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480   -0.0556   -1.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416    0.4385   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1581   -0.5306    0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7775    0.9032   -0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7728   -0.3809   -1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4861    1.6518   -0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.4436    0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697   -2.3311   -0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1927   -2.7196    0.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4378    0.6267    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4189    1.3865   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8922   -0.3872   -0.3511 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