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
-9.9080 1.1044 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5842 0.8564 -2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6243 0.1110 -1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3445 0.8642 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4607 0.2423 0.9989 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1382 0.0198 0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3998 -0.6670 1.6927 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0707 -0.9344 1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4030 -0.5344 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1067 0.1406 -0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4527 0.3904 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0698 -0.8521 0.2509 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0329 -0.0728 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2958 1.0341 1.2051 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3784 -0.4507 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7649 -1.6445 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0840 -1.9565 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1148 -1.1184 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6888 0.0760 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3517 0.4023 1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4027 -1.4987 0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5784 -0.8734 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8076 0.3470 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0330 1.0185 0.0631 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2721 0.4402 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3500 -0.7404 -0.4724 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5076 1.1667 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6680 0.5865 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0461 2.1921 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0385 0.5000 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7108 0.8708 -2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1410 1.8425 -2.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7092 0.2817 -2.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1628 -0.8523 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7788 -0.2235 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8525 1.8440 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2827 1.2042 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9099 -0.9839 2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5069 -1.4749 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5835 0.4403 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9818 0.9559 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0072 -2.3253 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4122 -2.8926 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3883 0.7917 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0958 1.3485 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6426 -0.6069 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4191 -1.6228 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8637 0.0126 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0179 1.0839 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4558 2.1814 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7220 -0.4259 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5694 1.1078 0.4111 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