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
7.4768 -2.1495 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3291 -2.2264 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4037 -1.0613 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3094 -1.1707 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6970 0.0549 -1.1604 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0580 1.2246 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7978 2.0499 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9856 1.5146 0.7915 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6433 1.2189 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0828 0.6280 1.9602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7429 0.3236 2.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 0.5759 0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4714 1.1518 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8199 1.4761 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5188 0.2349 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0016 -0.2914 2.0793 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3787 0.4820 -0.0049 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7214 0.1905 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1464 -1.0347 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5130 -1.3146 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4163 -0.3612 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9927 0.8618 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6234 1.1209 0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7835 -0.6147 0.0751 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2404 -1.8801 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2097 -2.9481 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7434 -1.2653 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0040 -3.0857 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5888 1.8956 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0965 0.9914 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7716 2.3769 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4121 3.0486 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7656 0.4407 2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3429 -0.1329 2.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 1.3638 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2067 1.9532 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4548 -1.7814 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8813 -2.2762 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6797 1.6318 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3240 2.1024 0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6526 -2.6537 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2977 -2.0552 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0631 -1.9243 -1.4583 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