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
-10.0297 -0.6043 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9285 -1.2091 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6136 -0.4436 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2107 -0.5179 1.7461 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0603 0.1314 2.1066 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7655 0.0483 1.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8747 0.9368 2.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5166 0.8894 2.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0112 -0.0358 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 -0.8996 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2162 -0.8330 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6638 -0.0517 1.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0604 0.9415 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5852 1.9695 0.0379 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4961 0.8546 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1563 -0.3216 0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -0.4647 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2693 0.5667 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5944 1.7220 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2421 1.8759 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6079 0.4050 -0.4926 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3425 -0.7510 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8083 -0.4734 -0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9418 -0.0621 -1.8969 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0615 0.1793 -2.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1844 0.0145 -2.0268 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1436 0.6105 -3.9819 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2477 0.8246 -4.6296 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4001 -1.2765 1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9389 -0.3534 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7213 0.3746 1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2132 -1.1509 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7658 -2.2661 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7753 0.6062 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8983 -0.9203 -0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0927 -0.2757 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0282 -1.6294 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3051 1.6446 3.1289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8730 1.5833 2.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4999 -1.6192 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8324 -1.5618 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5797 -1.1408 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0423 -1.3828 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1887 2.5483 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7546 2.7981 -0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2349 -1.2002 0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9857 -1.5063 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1735 0.2809 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3404 -1.4453 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2196 0.7794 -4.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1975 0.6639 -4.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3018 1.1472 -5.6456 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