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
-9.6052 -0.2007 1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9543 -0.0043 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4756 -0.1073 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8770 -0.3787 1.5397 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7678 0.0926 -0.6976 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3907 0.0151 -0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6655 1.0540 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3859 0.9246 0.0131 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 0.7718 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4192 -0.4176 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0626 -0.5247 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 0.5412 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0105 1.6960 -0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 1.8557 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0935 0.4617 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 1.4260 -0.9008 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8203 -0.6945 -0.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2023 -0.7603 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0466 -0.4025 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4229 -0.4469 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9732 -0.8767 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1742 -1.2458 -1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8015 -1.1844 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3634 -0.9201 -0.6079 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1955 -0.5473 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0792 -0.4306 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6831 -0.1320 1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4820 0.2252 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0743 0.1496 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 -0.9704 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0825 0.9839 1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0850 2.0454 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -1.2347 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4488 -1.4674 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 2.5516 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8390 2.7756 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5835 -0.0701 1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0550 -0.1504 1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6668 -1.5783 -2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1826 -1.4823 -2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9138 -1.0101 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1370 0.5540 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2251 -0.8856 0.2284 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