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
   -3.4755    0.2050   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -1.1234    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -1.3296   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041   -0.3618    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869    0.6224    0.8358 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7327   -0.4559   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065   -1.4876   -0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430    0.5126    0.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8754    0.7000    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518   -0.1186   -0.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    1.8714    0.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7615    0.5978   -1.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4842    0.0624   -0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5967    0.9133    0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0659   -1.1479    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5324   -1.9758   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3834   -2.2477   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1353   -1.6333   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8801    2.6952    1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1116    1.5212    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589    2.1803    0.1172 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