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
-8.4511 2.5804 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7799 1.1796 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7197 0.1829 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4795 0.1446 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4971 -0.7554 -1.2206 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1573 -0.7471 -0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4862 0.2245 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1103 0.1526 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3804 -0.9018 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0350 -1.8922 -1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3718 -1.8230 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 -1.0082 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -0.4737 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5638 0.0922 -2.0884 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -0.5738 -0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8739 -1.1922 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2472 -1.2629 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1152 -0.7174 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5507 -0.1013 -1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1870 -0.0226 -1.7863 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4969 -0.7665 -0.3623 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0286 -1.4113 0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5551 -1.3220 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8616 0.0624 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1871 0.5000 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0599 -0.4031 0.5162 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5248 1.9176 0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7963 2.2552 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6513 3.0336 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3529 3.2040 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1963 2.6992 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7475 0.9069 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8984 1.1379 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8196 0.2943 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1006 -0.8607 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1737 1.1412 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4125 -0.1335 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0408 1.0943 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6390 0.9466 0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4621 -2.7502 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8922 -2.6056 -1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2283 -1.6339 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6639 -1.7482 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2330 0.3238 -2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8289 0.4837 -2.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7177 -2.4676 0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7245 -0.8074 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0373 -1.8530 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8198 -1.8270 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7865 2.7001 0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5860 1.5043 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0830 3.2996 0.4225 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