Monomers
4-[2-(Methacryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester
Identifiers
IUPAC name
(4-methoxyphenyl) 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
InchI
InChI=1S/C20H20O6/c1-14(2)19(21)25-13-12-24-17-6-4-15(5-7-17)20(22)26-18-10-8-16(23-3)9-11-18/h4-11H,1,12-13H2,2-3H3
InchI Key
OIRKPCZRJHIGSG-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)OC(=O)c1ccc(cc1)OCCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
Isomeric SMILES
CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C20H20O6
Heavy Atom Count
26
Molecular Weight
356.374
Exact Molecular Weight
356.126
Valence Electrons
136
Radical Electrons
0
tPSA
71.06
MolLogP
3.4125
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
46 47 0 0 0 0 0 0 0 0999 V2000
-9.0579 -0.8344 0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8876 -1.3609 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6410 -1.0381 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4688 -0.2100 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2169 0.0978 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1032 -0.4351 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2638 -1.2620 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5140 -1.5628 1.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8001 -0.1673 -0.3856 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0605 0.8868 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5762 1.6467 0.9438 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7102 1.1933 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 0.3973 -1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 0.6738 -1.7512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 1.7449 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 2.5584 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0095 2.2627 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1554 2.0782 -1.6239 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0817 1.5618 -2.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5808 0.1801 -2.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 0.0765 -0.9443 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.1123 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6564 -2.1022 -1.2543 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3939 -1.2574 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8725 -2.4410 1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5407 -0.1401 1.7624 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9465 -1.2723 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1017 0.2700 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9945 -1.0479 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3424 0.2096 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1233 0.7369 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3762 -1.6686 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6321 -2.2069 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5981 -0.4704 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 0.0536 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8154 3.4091 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4833 2.8945 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6521 1.5242 -3.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9544 2.2584 -2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8908 -0.6251 -2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4476 0.0297 -2.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3672 -2.6086 2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 -3.2976 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4299 -0.3178 2.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6570 -0.1498 2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6738 0.8441 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
15 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 2 3
24 26 1 0
8 3 1 0
17 12 1 0
1 27 1 0
1 28 1 0
1 29 1 0
4 30 1 0
5 31 1 0
7 32 1 0
8 33 1 0
13 34 1 0
14 35 1 0
16 36 1 0
17 37 1 0
19 38 1 0
19 39 1 0
20 40 1 0
20 41 1 0
25 42 1 0
25 43 1 0
26 44 1 0
26 45 1 0
26 46 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers