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
-9.0396 -1.4493 0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7605 -1.8781 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5084 -1.0416 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4075 0.3806 -0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3733 0.5716 0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0389 0.4644 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2731 0.6982 1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9274 0.6121 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2542 0.3096 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9881 0.0807 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3737 0.1587 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8441 0.2355 -0.1099 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0827 1.3736 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7377 2.4230 -0.6205 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3671 1.3508 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1028 0.2246 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4997 0.2629 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2046 1.4058 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4333 2.5587 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0625 2.5019 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5557 1.5398 -0.5553 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5710 0.6509 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6454 0.1354 1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7236 -0.7734 1.1565 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0425 -0.4700 0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3733 0.6978 0.6476 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0306 -1.5249 1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7130 -2.7663 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5408 -2.3870 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7115 -0.8725 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7563 -0.7917 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8710 -1.7622 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8147 -2.9359 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3357 -1.2057 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5710 -1.4122 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3928 0.6589 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2766 1.0167 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8013 0.9441 2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3022 0.7885 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5225 -0.1616 -2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9351 -0.0015 -2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6069 -0.7113 0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0647 -0.6523 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9575 3.4749 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4877 3.4117 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5684 -0.2209 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5374 1.1800 -0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9924 1.0140 1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7169 -0.2681 1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0633 -1.2897 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6719 -2.9990 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4486 -3.5501 1.4736 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