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
    3.9401   -0.5402   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947    0.4103   -0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851   -0.0557    0.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438    0.5221    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    1.5534   -0.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -0.0184    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5466   -1.1011    1.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9265    0.6068    0.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8794    0.2400   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -0.6800   -0.9478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2137    0.8397   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259   -1.5479   -0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4144   -0.1497    0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6755   -0.5689   -1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    0.3978   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956    1.4406   -0.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464   -1.5676    1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3613   -1.4893    2.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7029    1.0124    0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2218    1.7992   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8741    0.1485   -0.7909 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