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
-6.7974 0.0214 -1.9763 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7042 -1.1235 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2735 -2.3670 -1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2459 -2.2471 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3906 -1.3408 0.4775 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0604 -1.1474 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6121 0.0028 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2575 0.2569 1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3151 -0.5857 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7821 -1.6926 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1443 -1.9994 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9826 -0.2405 0.8852 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2633 0.5372 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8662 0.9546 -1.0187 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 0.8706 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8517 0.4318 1.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1747 0.7674 1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8541 1.5439 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1271 1.9769 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7991 1.6475 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1914 1.8615 0.7151 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8439 1.3700 1.8704 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2709 1.8167 1.8905 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0087 1.3671 0.7732 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1976 0.0334 0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6820 -0.8282 1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9725 -0.3758 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5030 0.5357 -1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0603 0.8356 -2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7509 -0.2715 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9648 0.3888 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7009 -1.3340 -3.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7671 -0.9224 -1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2804 -2.7142 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0277 -3.1592 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0925 -3.2507 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3007 -1.9621 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3322 0.6810 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 1.1610 1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 -2.3662 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4333 -2.9088 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3213 -0.1773 2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7186 0.4069 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6823 2.5875 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2712 2.0191 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7608 0.2647 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3647 1.7571 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3109 2.9273 1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7632 1.5070 2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1139 -1.4155 -0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3822 1.5956 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0757 0.2445 -2.3521 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