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
-8.0309 2.5308 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6610 1.1728 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4777 0.4857 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0071 0.3466 -1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3380 -0.4168 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9777 -0.6571 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3230 -1.4031 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9755 -1.6185 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2300 -1.1288 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8986 -0.3868 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2741 -0.1465 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 -1.3357 -0.5288 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1007 -0.4990 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2512 0.5320 0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 -0.8062 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4718 0.0042 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8285 -0.2830 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 -1.3968 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 -2.2043 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8523 -1.9206 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5131 -1.7836 -0.9082 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6554 -1.1526 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9203 -1.1485 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1088 -0.4731 1.3528 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3759 0.8629 1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5107 1.5564 0.5759 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6583 1.4662 1.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8381 2.7397 1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1257 2.5597 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7158 2.8321 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7673 3.3187 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7639 1.2570 0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1731 0.5694 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9887 1.0180 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9130 -0.5361 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8918 -0.1418 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5067 1.3280 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9219 -1.7770 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4635 -2.1997 1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4091 0.0413 -2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7738 0.4341 -1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2301 0.9098 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5684 0.3936 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4834 -3.0972 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0782 -2.5987 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5257 -1.6611 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7110 -0.0716 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0506 -0.7829 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0794 -2.2035 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4332 0.8988 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0949 3.3557 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7546 3.2169 1.5848 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