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
-8.6742 0.8517 1.8359 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2459 0.8665 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9506 -0.5454 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5348 -0.4057 -1.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4172 0.3728 -1.7526 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1334 0.2086 -1.3651 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6154 -0.8524 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2631 -0.9148 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3873 0.0848 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 1.1493 -1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2049 1.2163 -1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0587 0.0264 -0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 -0.5443 -1.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3805 -1.0511 -2.1946 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3228 -0.5796 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 -0.0421 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0806 -0.0950 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0442 -0.6715 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6274 -1.2085 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2907 -1.1543 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3818 -0.7182 0.4565 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7497 -0.1518 1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2320 -0.2859 1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8966 0.3903 0.9061 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2748 0.4430 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9098 -0.1405 1.7893 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9822 1.1287 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3020 1.1586 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7528 0.8915 2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2837 -0.0699 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2682 1.7624 2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0392 1.2645 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3473 1.4658 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2043 -0.9982 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8630 -1.1833 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4037 0.0064 -2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3725 -1.4512 -1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2636 -1.6686 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9362 -1.7933 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1679 1.9415 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5610 2.0760 -2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0170 0.4161 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4392 0.3234 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3430 -1.6658 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 -1.5734 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5179 0.9313 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1403 -0.5721 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4532 0.2357 2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4995 -1.3611 1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4092 1.6145 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8164 1.6744 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8738 0.6827 0.5494 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