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
-8.6167 1.1092 2.9271 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4611 0.6056 1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1530 1.0788 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1041 0.5231 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9892 0.8215 -1.2201 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7060 0.4655 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2788 -0.3246 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9215 -0.6529 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 -0.1738 -0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4359 0.6244 -1.7318 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7470 0.9543 -1.9089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6401 -0.5045 -0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1691 0.3122 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3675 1.3321 0.7551 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5771 -0.0116 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0963 -1.1387 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4448 -1.4734 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3048 -0.7109 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7391 0.4379 1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4153 0.7703 1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6244 -0.9436 1.0197 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4662 -1.9514 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7110 -2.0460 -0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2908 -0.8861 -1.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5220 -0.3934 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1067 -1.0228 -0.1399 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1189 0.7919 -1.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5179 1.4769 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6953 2.1949 3.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4663 0.5555 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6928 0.7723 3.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3008 1.0024 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4590 -0.4919 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2524 2.2085 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2768 0.8815 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2673 -0.5980 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0083 0.8768 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9442 -0.7675 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6144 -1.2894 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6991 1.0013 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0638 1.5926 -2.7414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4494 -1.7654 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8184 -2.3742 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3967 1.0566 1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9859 1.6595 1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9773 -2.9408 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4184 -1.9954 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5213 -2.8382 -1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8656 -2.4405 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0738 1.1288 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9696 2.3451 -2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5600 1.1554 -2.9205 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