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
-6.6029 1.5746 -3.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2370 0.6118 -2.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9650 0.8471 -0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0688 1.9885 -0.4684 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5799 -0.1902 -0.1499 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3102 0.0229 1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9289 -1.3241 1.7943 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8193 -1.8339 1.1665 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5541 -1.3529 1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6184 -2.0631 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3073 -1.6709 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -0.5719 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7355 0.1424 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0634 -0.2801 1.8691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5506 -0.1563 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9385 0.8460 1.6583 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 -0.8945 0.2206 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7426 -0.5090 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6448 -1.0114 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9798 -0.6242 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4345 0.2717 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4841 0.7543 -0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 0.3784 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7648 0.6644 -0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1360 1.5857 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7960 1.3846 -4.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7109 2.5906 -2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1280 -0.3955 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2528 0.3876 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5710 0.7756 1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7966 -1.2210 2.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8110 -1.9883 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9367 -2.9261 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4138 -2.2268 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4068 1.0083 2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7193 0.2842 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3604 -1.7265 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7221 -1.0100 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8245 1.4595 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5021 0.8241 -1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4823 2.5021 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1827 1.9138 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0189 1.1586 -2.0420 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