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
8.8061 -0.1078 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1293 -1.4018 0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2597 -2.4894 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8228 -2.1721 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3832 -0.9731 -0.1357 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0542 -0.6223 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1727 -1.3873 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8540 -1.0299 0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3788 0.1310 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2232 0.9286 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5364 0.5406 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 0.4848 0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0744 0.0796 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4375 -0.6340 -1.2284 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3059 0.4684 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6187 1.2490 1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 1.6542 1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9248 1.2756 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6514 0.4966 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3346 0.0915 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2183 1.6733 0.7436 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2460 1.2664 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5359 1.8402 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6578 1.5179 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0699 0.2121 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3871 -0.7020 -0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2451 -0.0838 -1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9775 0.8430 -1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0337 0.4528 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 -0.2397 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7283 0.5234 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2047 -1.6668 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8752 -1.2787 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4734 -2.7627 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4776 -3.4226 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1559 -2.9882 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5841 -2.0752 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5525 -2.2889 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1593 -1.6203 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 1.8453 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2415 1.1452 -1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7871 1.5456 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0811 2.2602 2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4533 0.1839 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1091 -0.5265 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0739 1.7008 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2230 0.1711 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6844 1.5890 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4235 2.9515 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5096 -1.1233 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7208 1.8801 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8378 0.5947 -2.5891 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