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
   -3.2639   -0.8739    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232   -1.2905   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9464   -0.7848   -0.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7721    0.5868   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050    1.3020   -0.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.2250    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    2.5188    0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6213    0.4603    0.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897    0.0346   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2861    0.3388   -1.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003   -0.7996   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9150   -0.8922    1.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0882   -1.6445    0.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7055    0.0700    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1476   -2.3839   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530   -0.9044   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881    3.1178    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130    3.0029    0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5335   -0.1665    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629   -1.3254   -1.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221   -1.5911    0.5933 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