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
    3.3274    0.5477    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692    1.3356   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222    0.7043    0.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501   -0.5896   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572   -1.2310   -0.9151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5286   -1.2247   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -2.4694   -0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -0.5413    0.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910    0.2072   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944    0.2697   -1.4160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5591    0.9069    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5978    1.1209    1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    0.3414   -0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075   -0.4063    0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    1.2514   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454    2.3933    0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258   -3.0111   -0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6913   -2.9780   -0.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417    1.1248    1.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578    1.8858    0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289    0.3624    0.5545 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