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
-9.0190 -0.8563 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1262 0.4443 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0813 1.3999 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7297 0.7486 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6883 1.5747 -1.0975 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3897 1.1040 -0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3085 1.8400 -1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 1.3696 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 0.1416 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8123 -0.5991 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0973 -0.1204 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4280 -0.3056 -0.6373 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3750 -0.0450 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1442 0.6272 1.3923 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7357 -0.5010 0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3679 -1.2397 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6617 -1.6712 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4164 -1.3704 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7936 -0.6374 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 -0.2065 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6993 -1.8125 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5729 -1.5450 2.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9548 -0.0870 2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5855 0.1435 0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0588 1.4134 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9080 2.3122 1.2939 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7032 1.7020 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8598 0.7583 -1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2510 -1.4838 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9870 -1.3807 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8160 -0.6302 -2.1029 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1426 0.8652 -0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9309 0.1870 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2483 1.5850 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0873 2.3292 -0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6943 -0.2688 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5606 0.6020 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5333 2.8114 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 1.9915 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6040 -1.5738 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9308 -0.7328 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7803 -1.4734 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1420 -2.2503 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3027 -0.3973 2.8019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0004 0.3733 2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0986 -1.7865 3.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4868 -2.1956 2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0687 0.5435 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6311 0.1808 2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0535 2.6935 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5051 -0.2470 -1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3429 0.9732 -2.6642 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