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
-10.1322 1.4436 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7219 0.8913 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3548 0.3508 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9535 -0.1766 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0238 0.8323 -0.7394 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6732 0.5321 -0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1706 -0.7225 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8119 -0.9346 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 0.0824 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4900 1.3274 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8420 1.5857 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5883 -0.0863 -0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 -0.4404 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7704 -0.6057 1.9327 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 -0.6222 1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9500 -0.9759 2.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3139 -1.1510 2.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1954 -0.9808 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6759 -0.6270 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3103 -0.4511 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5653 -1.1525 1.6037 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4483 -0.9781 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8689 -1.2217 0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7967 -1.0554 -0.0931 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0091 0.0962 -0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3190 1.1033 -0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9769 0.2171 -1.8818 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1348 1.3463 -2.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8977 0.6458 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3017 2.0928 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2644 2.1221 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0484 1.7200 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6685 0.0543 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5061 1.0929 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0261 -0.5194 -1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9047 -0.9847 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6700 -0.5521 -2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8223 -1.5279 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3536 -1.9193 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 2.1514 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2072 2.5859 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -1.1247 3.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7234 -1.4299 3.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3771 -0.4912 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9149 -0.1683 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2177 -1.6306 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3575 0.0743 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9669 -2.3007 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1938 -0.5949 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5731 -0.6266 -2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8422 1.4649 -3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5440 2.2390 -2.2837 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