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
-7.6384 2.6433 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6246 1.5473 -1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2545 0.2373 -2.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9393 -0.2948 -1.5441 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9371 0.6323 -1.8329 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5915 0.4194 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6386 1.3686 -1.7894 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3278 1.1131 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9804 -0.0544 -0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9393 -0.9775 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2453 -0.7458 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6265 -0.2242 -0.4308 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2738 -0.8440 -1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1001 -1.2806 -2.3615 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6841 -0.9997 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5903 -1.6127 -1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9259 -1.7574 -1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3702 -1.2793 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4790 -0.6642 0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1456 -0.5262 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7012 -1.4393 0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1384 -0.9337 1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5990 -1.1803 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9989 -0.6774 2.9494 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9096 0.6395 3.2863 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4563 1.4730 2.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3334 1.1394 4.5975 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2484 2.4145 4.9282 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0534 2.5500 -2.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1604 3.6432 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9491 2.6868 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8126 1.3452 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6032 1.8551 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2676 0.3328 -3.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0767 -0.4812 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0595 -0.5115 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7246 -1.2347 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9400 2.2724 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5634 1.8431 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6155 -1.8807 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0145 -1.4792 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 -2.0015 -2.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 -2.2468 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8476 -0.2936 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4969 -0.0293 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8587 0.1352 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5370 -1.4100 2.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1911 -0.7394 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8332 -2.2707 1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7243 0.4290 5.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8488 3.1473 4.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5707 2.7396 5.9024 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