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
-6.8303 1.9412 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7923 1.6889 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5148 0.3823 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6216 -0.8225 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7616 -0.8998 -0.6238 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4032 -1.0359 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6549 -1.1579 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 -1.2883 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5747 -1.3022 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2896 -1.1834 -1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6497 -1.0546 -1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2132 -1.4305 -0.5622 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3708 -0.3556 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8328 0.8117 -0.4614 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 -0.5659 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5983 -1.8390 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9494 -2.0610 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8837 -1.0036 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3522 0.2619 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9667 0.4787 -0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2182 -1.2812 -0.4877 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3431 -0.5214 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5482 0.2568 0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7425 1.0217 0.8307 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9931 0.4717 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0981 -0.7788 0.6322 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1888 1.3160 0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0819 2.6254 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9672 1.2611 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9679 3.0095 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7891 1.7792 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8265 1.6433 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6824 2.5044 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2870 0.2933 2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5753 0.5304 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4307 -1.7311 1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7014 -0.9852 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1900 -1.1795 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7586 -1.3776 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7097 -1.1969 -2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2120 -0.9614 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 -2.6657 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3564 -3.0513 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0042 1.1239 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5676 1.4718 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2882 0.2303 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2564 -1.1268 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5383 -0.4323 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7407 0.9770 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1428 0.8355 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9472 3.2725 0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1169 3.1011 0.8980 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