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
-8.7750 1.4927 0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9786 0.0104 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4635 -0.6201 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9923 -0.4022 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2311 -0.9473 0.2909 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8559 -0.8469 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0932 -1.3691 1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7163 -1.2700 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0730 -0.6376 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8221 -0.1090 -0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2042 -0.2030 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6863 -0.5328 0.3090 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1134 -1.5098 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5220 -2.4838 -0.8009 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5477 -1.4215 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1461 -0.3338 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5399 -0.2394 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3629 -1.1817 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6965 -2.2793 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3265 -2.3780 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7137 -1.1400 -0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6849 -0.2884 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6402 1.0344 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6768 1.9231 -0.1151 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0142 1.6725 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3709 0.5873 -0.7793 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0455 2.6049 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7312 3.7476 0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9825 1.8693 0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7142 2.0464 0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4912 1.7628 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5806 -0.4822 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0864 -0.1715 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9880 -0.1642 -1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6313 -1.7126 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6891 -0.9756 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7336 0.6477 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5688 -1.8841 2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1298 -1.6821 2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3318 0.3925 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8050 0.2027 -1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5315 0.4366 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9769 0.6193 0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3157 -3.0444 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8105 -3.2266 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4876 -0.0683 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7093 -0.7355 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7605 0.9371 -1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7100 1.5624 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0874 2.3643 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6866 3.9895 0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4594 4.4370 1.1588 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