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
6.8210 0.2866 -2.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7024 -0.9570 -1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1179 -1.3264 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0031 -2.5017 0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6739 -0.3039 0.4424 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0849 -0.6031 1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7413 0.7475 2.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8450 1.4017 1.4765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5580 1.0041 1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9107 -0.0688 1.8091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5851 -0.3666 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1451 0.3792 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4990 1.4528 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7976 1.7534 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5209 0.0244 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0205 -0.9747 0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3135 0.7288 -0.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6149 0.3140 -0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9309 -0.5799 -1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2388 -0.9971 -2.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2427 -0.4786 -1.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9519 0.4330 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6346 0.8108 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5487 -0.8862 -1.4922 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5812 -0.3724 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4731 1.0691 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2589 0.4956 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0450 -1.7578 -2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2488 -1.2649 1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8781 -1.1191 2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4033 0.6768 3.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7018 1.3223 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3949 -0.6861 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0921 -1.2191 1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0662 2.0492 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 2.6094 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1624 -0.9805 -2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5091 -1.7000 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7726 0.8045 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4021 1.5200 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3623 -0.6940 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5569 -0.7731 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5604 0.7266 -0.7157 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