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
7.4203 2.5523 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3893 1.3311 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6398 0.3026 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0213 0.5720 1.5929 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5559 -1.0084 0.0836 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8415 -2.0258 0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3526 -1.7166 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7730 -1.5417 -0.4234 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4299 -1.2541 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8204 -1.0739 -1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4826 -0.7897 -1.8135 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3026 -0.6708 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2843 -0.8459 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6454 -1.1358 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7383 -0.3629 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2793 -0.2020 -1.9334 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5537 -0.2370 0.2981 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8957 0.0503 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7922 -0.9856 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1649 -0.7418 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6348 0.5596 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7383 1.6038 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3797 1.3324 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0111 0.7743 -0.1151 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4572 2.1127 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8907 2.7756 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9623 3.3629 -0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9346 1.1425 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9903 -2.9598 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1955 -2.2293 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1836 -0.8700 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9051 -2.6209 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4038 -1.1594 -2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 -0.6469 -2.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -0.7607 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1262 -1.2771 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4926 -2.0276 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8801 -1.5497 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1220 2.6268 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7103 2.1579 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5804 2.1086 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9677 2.6850 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2476 2.6431 0.8334 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