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
-8.5902 1.9746 1.5945 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1869 1.9794 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1929 0.8344 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7511 0.7829 -1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8531 -0.2025 -1.8442 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5668 -0.3729 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8951 0.4878 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5690 0.2340 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9314 -0.8794 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5995 -1.7374 -1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8916 -1.5257 -1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6358 -1.1341 -0.3126 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -0.6096 -1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1052 0.0624 -2.1603 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7670 -0.8485 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7638 -0.3407 -1.5896 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1052 -0.5642 -1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4821 -1.2893 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4324 -1.7861 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 -1.5846 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7471 -1.5674 0.2416 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9783 -1.2499 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4044 0.1639 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5093 0.8352 0.9678 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6150 1.1633 1.9169 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4106 0.8617 1.8021 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0616 1.8949 3.1209 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3162 2.2263 3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7539 1.7297 2.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9799 2.9665 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3579 1.1654 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0572 1.8701 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7156 2.9531 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3794 1.0091 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7704 -0.1118 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2124 1.7751 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6396 0.7916 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3727 1.3901 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1124 0.9646 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1189 -2.6518 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4288 -2.2128 -2.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 0.2369 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8610 -0.1701 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7127 -2.3593 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3154 -1.9775 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0804 -1.6185 -1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8032 -1.8597 0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6990 0.7794 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3936 0.2204 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3259 2.1446 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6311 2.7561 4.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0398 1.9721 2.5261 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