Monomers
4-Butoxyphenyl 4-[2-(acryloyloxy)ethoxy]benzoate
Identifiers
IUPAC name
(4-butoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C22H24O6/c1-3-5-14-25-19-10-12-20(13-11-19)28-22(24)17-6-8-18(9-7-17)26-15-16-27-21(23)4-2/h4,6-13H,2-3,5,14-16H2,1H3
InchI Key
MLVGJHUPVVXAFC-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OCCOC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
CCCCOC1=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
C22H24O6
Heavy Atom Count
28
Molecular Weight
384.428
Exact Molecular Weight
384.1573
Valence Electrons
148
Radical Electrons
0
tPSA
71.06
MolLogP
4.1927
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
52 53 0 0 0 0 0 0 0 0999 V2000
-9.7835 1.1129 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4968 1.1643 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2799 0.9429 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3356 -0.3875 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2512 -0.6088 1.3351 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9445 -0.7605 1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0546 -0.9284 2.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7181 -1.0918 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1835 -1.1016 0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 -0.9377 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4395 -0.7676 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 -1.2739 0.4533 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0962 -0.2527 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3562 0.9172 0.5428 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5042 -0.5559 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9001 -1.8671 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2286 -2.1945 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2421 -1.2191 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8067 0.0711 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4605 0.4300 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5128 -1.6711 -0.0643 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7326 -1.0422 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9591 -0.1339 -1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2521 0.4207 -1.2257 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6592 1.2324 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9084 1.5362 0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0252 1.7759 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4422 2.5507 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2917 0.1286 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4561 1.9087 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6280 1.3790 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3568 2.1799 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5252 0.4195 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2509 1.7704 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4118 1.0559 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2799 -1.1643 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3163 -0.5247 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4367 -0.9267 3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0823 -1.2176 2.7296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6901 -0.9386 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0991 -0.6708 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1818 -2.6958 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4883 -3.2369 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5340 0.8516 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2003 1.4950 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5204 -1.8605 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8681 -0.4742 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9463 -0.7607 -2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1805 0.6432 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7036 1.5248 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4404 2.9581 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7592 2.7959 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
18 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 2 0
25 27 1 0
27 28 2 3
11 6 1 0
20 15 1 0
1 29 1 0
1 30 1 0
1 31 1 0
2 32 1 0
2 33 1 0
3 34 1 0
3 35 1 0
4 36 1 0
4 37 1 0
7 38 1 0
8 39 1 0
10 40 1 0
11 41 1 0
16 42 1 0
17 43 1 0
19 44 1 0
20 45 1 0
22 46 1 0
22 47 1 0
23 48 1 0
23 49 1 0
27 50 1 0
28 51 1 0
28 52 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers