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
6.7502 2.0796 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4380 2.0399 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7936 0.8644 -1.7799 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4929 0.8160 -2.9946 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4762 -0.2537 -1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8344 -1.3967 -1.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6571 -2.3852 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8837 -1.8923 0.5155 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5813 -1.5262 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7123 -1.6293 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -1.2164 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0672 -0.7127 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8201 -0.6204 1.9255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1220 -1.0101 1.8077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4367 -0.3016 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9368 0.1706 2.0639 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2861 -0.4145 -0.0719 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6196 -0.0342 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5387 -0.9802 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8937 -0.6757 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3567 0.5880 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4011 1.5040 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0560 1.2285 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6941 0.9385 0.2235 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0847 2.2578 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2275 2.9494 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 1.2424 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6559 2.8714 -1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5627 -1.7939 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9230 -1.1084 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2746 -3.3498 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6761 -2.6853 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0086 -2.0456 -1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2474 -1.3227 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5276 -0.2302 2.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 -0.9371 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2356 -2.0054 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6362 -1.4122 0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7909 2.5066 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3723 1.9845 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1484 2.4384 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5135 3.0211 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8710 2.4386 -1.1764 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