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
-6.1594 1.5580 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0390 2.5756 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8760 2.5730 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2413 1.2611 1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5152 0.1643 0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2093 -0.1555 0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3322 0.6525 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 0.2693 1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5143 -0.9052 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3850 -1.7194 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7058 -1.3678 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2058 -1.2716 1.3682 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2350 -0.8813 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5690 -0.1593 -0.5025 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1684 -1.2374 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6426 -2.0290 1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9605 -2.3567 1.7465 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9107 -1.9049 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4433 -1.1263 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1062 -0.8030 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2289 -2.2911 0.9988 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2468 -1.8552 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4402 -0.3819 0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4350 0.1869 -0.4833 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3858 0.1301 -1.8562 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4218 -0.4468 -2.3962 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4359 0.7298 -2.6696 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4567 1.3408 -2.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1328 1.6163 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5428 0.5467 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0734 1.7781 -2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7900 3.5955 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1197 2.3707 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8349 2.8897 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5298 3.3718 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1519 1.4256 2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3521 1.1008 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6524 1.5710 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3273 0.9237 2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0871 -2.6819 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4128 -2.0016 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 -2.3926 2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3061 -2.9751 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1012 -0.7663 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 -0.1790 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9120 -2.1282 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1854 -2.4003 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5160 0.1699 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8970 -0.2923 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3610 0.6640 -3.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2551 1.7979 -2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5212 1.4018 -1.0370 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