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
    3.2665   -0.3728    0.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -1.1853   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624   -0.7062   -0.1933 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5807    0.5645   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5428    1.2971   -0.9672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130    1.1801   -0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8300    2.4777   -0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8915    0.6421    0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1767   -0.6011    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872   -1.4550    0.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5926   -0.9194    0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819    0.2344   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848   -1.0480    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569    0.3108    1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626   -1.1360   -1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -2.2453   -0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0525    2.9786   -1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7749    2.9882   -0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0046   -1.7547    0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -1.2299    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2124   -0.0199    0.7499 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