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
    3.1678    0.9905   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3855    0.1874   -1.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770   -0.1262   -0.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -0.8437    0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054   -1.2243    1.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -1.1565    0.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8427   -1.8547    1.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228   -0.7440    0.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    0.4475    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062    1.2332    1.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5509    0.8578   -0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468    0.8496   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410    0.6938    0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9977    2.1006   -0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9811   -0.7095   -1.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    0.7838   -2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513   -2.0974    2.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0547   -2.2055    2.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6945    1.9555   -0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4485    0.4912   -1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4428    0.3708   -0.1930 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