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
-6.9604 2.8107 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0212 1.6161 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8785 0.5253 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5229 -0.1319 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3885 -0.7927 -0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0717 -0.7754 -0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4124 -2.0155 -1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0470 -2.0814 -1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2401 -0.9930 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8638 0.2079 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2471 0.3288 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -0.9998 -0.9567 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0609 -1.2059 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6413 -1.3981 1.2513 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3923 -1.1947 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 -0.9814 -1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3614 -0.9797 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1690 -1.1831 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5261 -1.3928 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1514 -1.4022 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5546 -1.1731 -0.2912 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3088 -1.3928 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7628 -1.3391 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1130 -0.1041 -0.0182 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9763 1.0748 0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5287 1.0942 1.8651 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3613 2.3482 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2362 3.4733 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7927 3.5160 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0141 3.3317 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0662 2.5144 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0265 1.2753 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5125 1.9964 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8444 -0.2975 1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9557 0.8425 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3993 -0.8592 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6738 0.5954 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0208 -2.8999 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5754 -3.0358 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2648 1.1114 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6989 1.2879 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3791 -0.8155 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8498 -0.8119 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1310 -1.5564 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6905 -1.5759 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0675 -0.7009 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0113 -2.4074 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9355 -2.1467 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4263 -1.5406 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7505 2.3374 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8575 3.5039 1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5247 4.3926 0.2368 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