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
-7.4915 4.4918 1.8088 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8348 4.1191 3.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9121 2.6245 3.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2027 1.8588 2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8723 2.2638 2.2715 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8553 1.8544 1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0307 0.9277 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9445 0.5457 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7001 1.0783 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5373 2.0215 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6073 2.4059 1.6611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6232 0.7115 -0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0338 -0.5093 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5587 -1.1906 0.3261 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 -1.0731 -1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5649 -2.3165 -0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 -2.8531 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4153 -2.1709 -2.4805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9261 -0.9131 -2.8278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 -0.3615 -2.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5578 -2.6717 -3.0817 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1082 -3.8814 -2.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7454 -3.9835 -1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8399 -3.2070 -1.1525 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0619 -1.9032 -1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1685 -1.1211 -1.6642 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3675 -1.3452 -0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3169 -2.1476 -0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0691 3.9253 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5854 4.3076 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3186 5.5597 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3903 4.6311 3.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8006 4.4763 3.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3380 2.4286 4.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9373 2.2583 3.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2463 0.7712 2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7116 1.9354 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9967 0.4913 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1481 -0.2078 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5490 2.4521 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4891 3.1367 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0638 -2.9127 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 -3.8421 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4517 -0.3485 -3.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4113 0.6202 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2803 -4.6717 -2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8614 -4.1679 -3.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0701 -5.0630 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0119 -3.8061 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -0.2956 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1541 -3.1985 -0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2768 -1.7341 -0.2784 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