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
-8.4520 -0.5215 2.9115 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4381 0.0169 1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1048 0.7222 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0307 1.2847 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8569 1.9307 -0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5591 1.5467 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0389 0.2991 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6687 0.0288 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7794 1.0383 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 2.2928 -0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6447 2.5624 -0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4479 0.7452 -0.7157 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1834 0.3574 -1.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5395 0.2838 -2.9122 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5846 0.0489 -1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1416 -0.3263 -3.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4787 -0.6285 -3.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3439 -0.5637 -2.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7522 -0.1832 -1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3877 0.1235 -0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6607 -0.8711 -2.3565 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6264 -0.9016 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3994 -1.9779 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3954 -1.9992 0.6553 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6625 -0.9785 1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9736 0.0679 1.4159 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6819 -1.0244 2.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8606 0.0117 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8184 0.2003 3.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1876 -1.3775 2.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4235 -0.8842 3.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5816 -0.7865 0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2436 0.7799 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0997 1.5882 2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2817 0.0772 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8707 2.0355 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2573 0.4679 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7251 -0.5165 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 -0.9998 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6012 3.0883 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9690 3.5871 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5546 -0.4059 -4.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9260 -0.9254 -4.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3764 -0.0808 -0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9624 0.4167 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6596 -1.0446 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5854 0.1165 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4247 -2.0113 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4915 -2.9656 -0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2762 -1.9105 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6328 -0.0130 4.1237 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3012 0.9226 3.2865 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