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
-7.2776 -0.5910 -2.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8852 0.5176 -2.3991 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0185 1.3447 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6441 2.4932 -1.8082 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6489 0.8121 -0.2835 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8386 1.4664 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6351 0.4913 1.8733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9835 -0.6621 1.4461 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6624 -0.6918 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 0.4241 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5327 0.3650 0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0125 -0.8030 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7967 -1.9054 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1265 -1.8843 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4091 -0.8943 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8636 -1.9734 -0.6012 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2849 0.1716 -0.0446 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6269 0.1541 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1222 0.3551 -1.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4752 0.3258 -1.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3707 0.0901 -0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8636 -0.1089 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5279 -0.0815 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7554 0.0586 -1.1746 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6504 -0.1942 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6604 -1.5583 -2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6570 -0.7468 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1478 1.0374 -3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2934 2.4144 1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8856 1.6392 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0053 0.9996 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6451 0.2137 2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2714 1.3270 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0443 1.2747 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4239 -2.8446 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7851 -2.7399 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4044 0.5310 -2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8859 0.4797 -2.9197 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5655 -0.2959 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1852 -0.2405 1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5629 -1.2523 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6753 0.0316 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4121 0.4505 0.7674 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