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
6.7816 -0.7696 2.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0086 -1.0765 1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3461 -0.3653 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5588 0.5433 0.4478 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5640 -0.6631 -1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9941 -0.0718 -2.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5135 -0.2912 -2.3916 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 0.2250 -1.3097 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4426 0.1253 -1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6505 -0.4874 -2.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2778 -0.5801 -2.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 -0.0337 -0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4726 0.5907 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8354 0.6722 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7457 -0.0679 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4773 -0.6281 -1.5367 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3337 0.4750 0.4302 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7030 0.4548 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3115 -0.5711 1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6766 -0.5597 1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4840 0.4659 1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8764 1.4920 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5090 1.4814 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8595 0.4580 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4126 -0.6227 2.1187 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0763 0.0401 2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2601 -1.2831 3.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6999 -1.8713 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4303 -0.5073 -3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2510 1.0167 -2.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1260 0.1078 -3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3303 -1.3980 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1244 -0.9126 -3.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 -1.0610 -2.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 1.0236 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 1.1644 0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6832 -1.3767 1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1408 -1.3770 2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5135 2.3072 0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0542 2.2923 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8365 -0.7168 3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2364 -1.5821 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4825 -0.4954 2.2947 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