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
8.5594 -2.4449 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1454 -1.5293 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7999 -0.9633 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0463 -1.3718 0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3243 -0.0093 -1.2261 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0354 0.5773 -1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7616 1.3035 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5065 1.8734 0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.3562 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9310 0.0202 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5855 -0.3706 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4313 0.5401 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1280 1.8829 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1913 2.2710 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7970 0.1109 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0811 -1.1145 -0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 1.0319 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1246 0.5748 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7560 0.4035 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0703 -0.0565 -1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6915 -0.3247 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0615 -0.1551 1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7642 0.3011 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9958 -0.7823 0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6901 -1.0758 1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5387 -2.8885 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8841 -2.7700 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8250 -1.1986 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0520 1.3568 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -0.1406 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5112 2.1117 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8241 0.5542 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6772 -0.7392 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -1.4284 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8934 2.6606 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4141 3.3326 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2359 0.6247 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5666 -0.1910 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5614 -0.3695 2.1727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2251 0.4506 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2741 -1.9908 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5873 -0.2000 1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7537 -1.2234 0.9572 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