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
-8.4797 -2.2233 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0614 -1.9374 -2.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8613 -0.4259 -2.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0989 -0.0432 -0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2569 -0.6343 0.0904 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9068 -0.4550 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1153 0.3924 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7354 0.5253 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1015 -0.2203 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8650 -1.0836 1.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2146 -1.2057 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.1409 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 0.7399 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9162 1.5128 2.4069 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2626 0.8010 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8410 1.6749 2.8855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1975 1.7137 3.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0858 0.8669 2.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5070 -0.0038 1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1162 -0.0321 1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4309 0.9439 2.6225 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4418 0.2443 2.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5651 0.5835 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6261 -0.1807 0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9172 -0.0282 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2428 0.7791 -2.0242 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9953 -0.7942 -1.9411 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3028 -0.6721 -3.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1038 -1.3277 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9048 -3.0607 -2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5422 -2.4972 -0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8690 -2.2492 -3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3492 -2.3784 -1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6086 0.0907 -2.9007 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8816 -0.1505 -2.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9507 1.0915 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1814 -0.1331 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5830 1.0163 -1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1529 1.2063 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4153 -1.6980 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8357 -1.8763 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1712 2.3471 3.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6667 2.3985 3.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1087 -0.7055 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6829 -0.7368 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3542 -0.8597 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4249 0.5267 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6547 0.5905 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9076 1.6789 0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5532 -1.4719 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0975 -1.2417 -3.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7445 0.0109 -3.8465 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