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
7.7733 -0.8183 1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5610 -1.2820 1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5804 -0.5207 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4405 -0.9836 0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8731 0.6484 -0.0916 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1424 1.5176 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5994 1.0309 -2.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7151 0.0072 -2.2213 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4287 -0.0490 -1.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7762 0.9793 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5017 0.8307 -0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1719 -0.3405 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4324 -1.4258 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 -1.2504 -1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -0.5045 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1476 -1.5789 -0.4658 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2333 0.5540 0.2489 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5319 0.3954 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8630 0.3203 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1500 0.1626 2.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2050 0.0693 1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8795 0.1431 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5570 0.3046 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4929 -0.0849 1.9781 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5852 -0.2042 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4955 -1.3728 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0434 0.1128 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2495 -2.2014 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4107 2.1254 -0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8864 2.3484 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4817 0.8510 -2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0899 1.9269 -2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2517 1.9311 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0040 1.6580 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0856 -2.3622 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2446 -2.0562 -2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0127 0.4008 2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3905 0.1046 3.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6475 0.0816 -0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4008 0.3513 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3430 -0.5839 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1061 0.7845 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3372 -0.8853 1.6431 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