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
7.4795 -2.2349 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2561 -1.1712 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6778 0.1539 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3916 1.1875 0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3300 0.3246 0.3375 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7637 1.6149 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2757 1.4764 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7164 0.8324 -0.3765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3686 0.5600 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8488 -0.0702 -1.5638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4844 -0.3527 -1.6604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3843 -0.0036 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1511 0.6276 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4970 0.9039 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8074 -0.2967 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -0.8702 -1.7329 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6298 0.0670 0.2958 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9984 -0.1670 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9192 0.7334 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2750 0.4584 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7610 -0.7231 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8399 -1.6380 0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5007 -1.3420 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1282 -1.0148 0.3797 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0142 -0.0475 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4240 -2.1444 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8791 -3.2334 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3076 -1.2809 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8855 2.1803 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2645 2.1456 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1489 0.8634 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8260 2.4652 0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5209 -0.3478 -2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0828 -0.8487 -2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 0.8962 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9262 1.3990 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5904 1.6632 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0072 1.1551 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2558 -2.5522 1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7923 -2.0526 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9758 0.8827 0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7196 0.2196 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0639 -0.4183 -0.1005 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