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
-8.7099 -1.2474 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8082 0.2533 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4803 0.9017 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0934 0.5062 1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8797 1.0667 1.7868 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6201 0.8749 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5883 1.6417 1.8449 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3032 1.5093 1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0202 0.6094 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0250 -0.1468 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3262 -0.0188 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 0.4680 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1366 -0.4578 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2477 -1.1847 1.4795 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5106 -0.6195 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3637 -1.5234 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6545 -1.6317 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1253 -0.8599 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2246 0.0681 -1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9634 0.1735 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3985 -0.9154 -1.4001 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4296 -1.7016 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8878 -1.2491 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3322 0.1061 0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3711 0.5241 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0240 -0.3254 -1.1438 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7676 1.9474 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7753 2.2968 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8773 -1.6387 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6987 -1.6096 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4307 -1.7403 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0330 0.5387 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5616 0.6000 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6948 2.0051 0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7246 0.7928 -0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9071 0.7896 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0727 -0.6179 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8040 2.3556 2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4760 2.0806 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8303 -0.8715 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0977 -0.6625 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0472 -2.1658 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2918 -2.3988 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5713 0.6868 -2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2518 0.8824 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1391 -2.7922 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2876 -1.6648 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0604 -1.3047 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7429 -1.8778 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2196 2.6769 -0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0980 3.3160 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3419 1.5545 -1.9110 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