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
   -3.5833    0.7266   -0.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982   -0.1290    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617   -0.6529    0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4899   -0.0531   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5075    1.1855   -0.2141 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7032   -0.8252   -0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373   -2.1429   -0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894   -0.1101   -0.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415    0.2626    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283   -0.0549    1.4692 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053    1.0161    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1777    0.7919   -1.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6485    0.4267   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6409    1.8001   -0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5567   -1.0091    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058    0.4207    1.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6294   -2.7051   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -2.6807   -0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0038    1.9203    0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019    1.3843   -0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8991    0.4283    0.3714 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