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
    3.5010    0.3265    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7864    0.8728   -0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243    0.1316   -1.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881    0.0287   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7534    0.6302    0.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6266   -0.7311   -0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7748   -1.3503   -1.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6613   -0.8322    0.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    0.0373    0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    0.9822   -0.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8311   -0.0337    1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4347   -0.7711    0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743    0.6076    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    0.7240    1.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.9478   -0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909    0.7605   -1.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115   -1.2892   -2.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6542   -1.9202   -1.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6870   -0.6435    1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2145    0.9874    1.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5292   -0.4653    2.4574 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