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
-6.9478 -0.1890 -1.9823 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3424 0.4016 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7678 0.1010 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1637 0.6805 1.4407 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7511 -0.8393 0.5887 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2001 -1.1224 1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5745 0.0444 2.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5330 0.6762 1.9068 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 0.2871 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7086 -0.9453 1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4122 -1.2283 1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 -0.2406 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2341 0.9992 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5079 1.2514 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6558 -0.5181 0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2197 -1.6302 0.3899 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3724 0.4790 -0.4056 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6571 0.3311 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8719 -0.1115 -2.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1422 -0.2649 -2.6487 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2518 0.0142 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0200 0.4541 -0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7506 0.6183 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5144 -0.1571 -2.4046 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6425 0.1249 -1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3829 0.0439 -2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1598 -0.9450 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1256 1.1412 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9672 -1.5326 2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4706 -1.9287 1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3301 0.7897 2.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1641 -0.3656 3.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2473 -1.7266 2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0078 -2.2280 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3038 1.8064 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9370 2.2370 0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0136 -0.3332 -2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2921 -0.6155 -3.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8568 0.6826 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5621 0.9623 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7240 1.2299 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5630 -0.2812 -2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5117 -0.3237 -0.6200 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