Monomers

4-[2-(Acryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester

Identifiers

IUPAC name
(4-methoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C19H18O6/c1-3-18(20)24-13-12-23-16-6-4-14(5-7-16)19(21)25-17-10-8-15(22-2)9-11-17/h3-11H,1,12-13H2,2H3
InchI Key
FJYJQYRUKLDXEE-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Canonical SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C19H18O6
Heavy Atom Count
25
Molecular Weight
342.347
Exact Molecular Weight
342.1103
Valence Electrons
130
Radical Electrons
0
tPSA
71.06
MolLogP
3.0224
H Bond Acceptors
6
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -7.6717   -0.5381    2.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2270   -1.3925    1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6443   -0.9172   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2166   -1.7260   -0.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5442    0.4350   -0.3881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    0.9062   -1.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5574    0.5166   -1.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7313    1.0242   -0.7436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3773    0.8127   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7588    0.0947   -1.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800   -0.1313   -1.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409    0.3844   -0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    1.1128    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    1.3197    0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812    0.1604   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633   -0.4947   -1.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5728    0.6628    0.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9633    0.4374    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8313    1.3306   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1891    1.0884   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7321   -0.0162    0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8508   -0.8934    1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5003   -0.6619    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0966   -0.2594    0.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790   -1.4139    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6088    0.5203    1.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1028   -0.8557    2.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3014   -2.4441    1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1071    2.0080   -1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5555    0.5468   -2.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1665    0.9057   -2.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.5750   -1.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2933   -0.3278   -2.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1378   -0.6883   -2.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447    1.5109    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0976    1.8877    1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    2.2103   -0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8337    1.8085   -0.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2953   -1.7598    1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -1.3598    1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6624   -1.5122    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1903   -1.3935    2.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1055   -2.3230    0.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 21 24  1  0
 24 25  1  0
 14  9  1  0
 23 18  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  0
 13 35  1  0
 14 36  1  0
 19 37  1  0
 20 38  1  0
 22 39  1  0
 23 40  1  0
 25 41  1  0
 25 42  1  0
 25 43  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers