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
-8.9928 -1.3850 2.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6851 -1.9795 1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4587 -1.7782 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4462 -0.3234 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4943 0.4568 0.4924 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1463 0.4331 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3639 1.3273 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0037 1.3271 1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3122 0.4679 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0800 -0.3993 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4805 -0.4258 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9331 0.4850 0.1276 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2360 1.2742 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 1.9960 -1.5406 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2211 1.2814 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9253 2.0552 -1.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2876 2.0938 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0404 1.2904 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3688 0.5050 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9771 0.4925 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3883 1.3674 -1.1343 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4516 0.7577 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4919 -0.7106 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5946 -1.3454 -0.1263 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9128 -1.0902 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2160 -0.2380 -1.2287 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9551 -1.8120 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2198 -1.5466 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6052 -2.0683 2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6161 -1.1659 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7853 -0.4877 2.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8122 -1.6054 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7536 -3.0919 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5658 -2.3591 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3377 -2.2622 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4743 0.0862 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3794 -0.2003 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9003 1.9905 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3853 2.0214 1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5670 -1.0924 -1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0323 -1.1224 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3205 2.6866 -2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7976 2.7390 -2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9192 -0.1270 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5270 -0.1540 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3917 1.1820 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4389 1.0346 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5489 -0.8635 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6013 -1.2743 -0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7005 -2.5736 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4744 -0.8030 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0043 -2.0723 0.5734 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