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
9.0104 -0.9455 2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0874 0.5318 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1936 0.9367 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7467 0.5920 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8954 0.9496 -0.1417 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5321 0.7523 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8195 1.1579 -1.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4546 1.0025 -1.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7971 0.4193 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5066 0.0058 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8765 0.1689 0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 0.2432 -0.3338 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0628 -0.9420 -0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7513 -1.8096 -1.2733 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4885 -1.1957 -0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3831 -0.2701 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7683 -0.4823 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2359 -1.6503 -1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3206 -2.6199 -1.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9611 -2.3757 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5450 -1.9556 -1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6727 -1.2239 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8740 0.0390 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0352 0.7036 -1.2769 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2670 1.2189 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3769 1.1001 0.8568 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.5282 1.8963 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6877 2.3665 1.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0253 -1.3826 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4886 -1.4953 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5173 -1.1566 3.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7817 1.0586 2.7105 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1391 0.7822 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3217 2.0217 0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5340 0.3908 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3875 1.1000 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7055 -0.5250 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3327 1.6100 -2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8819 1.3162 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9982 -0.4529 1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4693 -0.1358 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 0.6578 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4061 0.2868 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6850 -3.5496 -1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2399 -3.1198 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5614 -1.9157 -1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7041 -0.9775 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0686 -0.2721 -2.7535 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9901 0.6679 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3144 2.0172 -0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6041 2.8628 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9090 2.2589 2.2760 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