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
-10.5421 0.9296 1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0811 1.1046 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2673 -0.1307 1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8285 0.1855 0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9795 -0.9155 1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6088 -0.8303 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8296 -1.9394 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4530 -1.8995 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8413 -0.7660 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6323 0.3258 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0128 0.2961 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4813 -0.6650 0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 -0.9867 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6183 -1.3908 -1.8920 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5482 -0.8824 -1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4372 -0.4473 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7718 -0.3853 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2659 -0.7342 -1.8166 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3675 -1.1673 -2.7689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 -1.2320 -2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6409 -0.6547 -2.1119 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4939 -0.2003 -1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9331 -0.1594 -1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7667 0.2940 -0.4729 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6854 1.5168 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7737 2.3051 -0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5635 1.9494 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5124 1.1769 1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.1031 1.4517 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8347 -0.1439 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7953 1.3835 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8793 1.3286 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7057 1.9441 1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5643 -0.9910 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3678 -0.4582 2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7196 0.5641 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5248 1.0053 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2806 -2.8453 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8606 -2.7613 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1902 1.2252 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6361 1.1519 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0348 -0.1791 0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4850 -0.0431 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7461 -1.4461 -3.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3573 -1.5819 -3.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4207 -0.9444 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1005 0.7767 -0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2872 -1.1193 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0005 0.5976 -2.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4271 2.9277 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1554 1.5148 2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7067 0.1773 1.2980 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