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
-8.6955 -1.4188 1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9264 -2.3919 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6389 -2.0487 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8897 -2.9762 -0.1714 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2293 -0.7519 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9653 -0.4548 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7737 1.0215 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5696 1.3637 -1.2175 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3378 1.0951 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2644 1.5155 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0274 1.3165 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3622 0.6785 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6756 0.2605 0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9862 0.4693 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7541 0.4746 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0272 -0.1000 1.4265 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7444 0.9086 -0.4766 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1088 0.7485 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7862 1.7232 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1485 1.5445 0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7798 0.4024 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0759 -0.5453 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7174 -0.4015 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1218 0.2346 0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7647 -0.9383 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6337 -1.6405 1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3977 -0.4003 1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2294 -3.4193 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2098 -1.0640 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1441 -0.8065 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8978 1.4671 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5833 1.4932 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4475 2.0225 -2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8704 1.6449 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4113 -0.2406 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7700 0.1383 1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2768 2.6210 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6402 2.3310 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5655 -1.4457 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2069 -1.1820 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1750 -1.8005 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6954 -0.9168 -0.9804 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8281 -0.9701 0.4327 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