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
-8.8299 0.9749 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2181 1.6101 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9465 1.1609 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3697 1.7827 -1.5349 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2928 0.0240 -0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0361 -0.3776 -0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6284 -1.6192 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4501 -2.2103 -0.3432 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1580 -1.8305 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7047 -0.6180 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3444 -0.2779 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5985 -1.1638 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1517 -2.3840 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1802 -2.7200 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0242 -0.8285 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8257 -1.6741 -0.8158 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5178 0.3699 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8727 0.6432 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4104 1.2346 -1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7549 1.5407 -1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5950 1.2307 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0872 0.6382 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7345 0.3522 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9194 1.5446 -0.2745 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8761 1.2891 0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3925 0.0898 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7634 1.3331 1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6594 2.5003 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2863 -0.6331 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3281 0.4330 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6473 -1.4769 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4469 -2.3892 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4224 0.0876 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0446 0.6850 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9070 -3.0849 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5101 -3.6958 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7784 1.4846 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1367 2.0078 -2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7423 0.4024 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 -0.1079 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8294 2.0995 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9003 1.2750 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6665 0.2976 1.1594 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