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
1.2969 1.8985 7.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4513 2.0426 6.6102 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0079 1.0616 5.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2998 0.0653 5.3503 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2342 1.2021 5.0762 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7955 0.3312 4.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0253 0.2897 2.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7004 -0.0814 2.9598 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8559 -0.2179 1.8989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2021 -0.0228 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3249 -0.1608 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0208 -0.5139 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3404 -0.7116 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5164 -0.5788 2.1421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9621 -0.6730 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1538 -0.9709 -0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7488 -0.5370 -2.6185 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7221 -0.7020 -3.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4388 0.4032 -3.9764 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4221 0.2723 -4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6825 -0.9359 -5.5327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9511 -2.0462 -5.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9727 -1.9191 -4.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6717 -1.1204 -6.5314 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4176 -0.0271 -6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5439 1.1278 7.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9473 2.6977 7.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0674 2.8878 6.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8352 0.6761 3.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8728 -0.7184 4.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0353 1.3058 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5516 -0.3669 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2549 0.2522 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6887 0.0040 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3770 -0.9948 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2290 -0.7423 3.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2958 1.3917 -3.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9676 1.1492 -5.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1431 -3.0117 -5.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4204 -2.8018 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9769 0.5631 -7.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7066 0.6755 -6.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3862 -0.4427 -7.3550 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