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
   -3.0702    1.4495   -0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    0.0864   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1753    0.0834   -0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6116   -1.1617    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -2.1979    0.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874   -1.2766    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.4706    0.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896   -0.1298    0.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2816    0.3114   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1775   -0.3484   -1.5130 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355    1.5435   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0474    1.3105   -1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4306    2.0339   -1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204    2.0576    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672   -0.5546   -1.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996   -0.3571    0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746   -3.3602    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194   -2.5950    1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904    2.2069    0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1826    1.2538   -0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711    2.1149   -1.3187 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