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
-8.3954 -0.8534 -1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0372 -0.0841 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4533 1.2952 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9781 1.2651 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2853 0.5738 -0.7125 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9068 0.4727 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1840 -0.2051 -1.5938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8207 -0.2895 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1500 0.2685 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8473 0.9389 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2175 1.0238 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7724 0.1236 -0.3667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2320 -0.9837 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9989 -1.8042 0.7905 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2163 -1.1375 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0458 -0.2195 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4171 -0.3214 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0189 -1.3894 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1721 -2.3447 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8151 -2.2185 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3614 -1.5874 0.4198 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4215 -0.8328 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5601 0.5068 0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6713 1.1796 0.1078 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9824 0.7810 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2718 -0.2986 0.7497 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0267 1.5820 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2723 1.1791 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1088 -1.6227 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0749 -0.2318 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5083 -1.4092 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1397 0.0313 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8685 -0.5783 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6433 1.8859 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9137 1.8945 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7876 0.6895 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5729 2.2841 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7232 -0.6428 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2989 -0.8303 -2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3211 1.3851 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8080 1.5418 1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5880 0.6458 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 0.4370 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6488 -3.1663 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 -2.9606 1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4015 -1.3794 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3077 -0.5916 -1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6691 1.1378 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7421 0.3336 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7577 2.4937 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5082 0.2587 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0363 1.7739 -0.8561 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