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
-7.3749 1.4135 2.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4601 0.5548 1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1700 1.3967 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2800 0.4516 -1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3869 -0.5780 -0.9871 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0382 -0.5571 -1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3767 -1.7928 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0243 -1.8000 -0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2782 -0.6734 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9000 0.5320 -1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3020 0.5711 -1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9085 -0.7661 -1.2069 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2234 -0.6076 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8570 -0.3933 1.0646 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2207 -0.7033 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 -0.5477 1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2758 -0.6358 1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9902 -0.8707 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2820 -1.0201 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9074 -0.9384 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3956 -0.9561 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0830 -0.7994 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5551 -0.9242 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0836 0.0063 0.1566 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8720 0.2179 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0880 -0.5137 -1.7886 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5460 1.2970 -1.9121 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3913 2.1118 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3572 1.9241 2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1277 0.8207 3.4625 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5789 2.1972 2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4830 0.1454 1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7729 -0.2973 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9907 2.1537 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2194 1.8948 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3393 0.0492 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1872 1.0474 -2.0344 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9498 -2.6783 -0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5079 -2.7549 -0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 1.4341 -1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7508 1.5342 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.3626 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8489 -0.5186 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8371 -1.2064 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3456 -1.0574 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7202 -1.5619 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8572 0.1825 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0251 -0.7630 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7378 -1.9893 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3478 1.4259 -2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8829 2.9013 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6146 2.0039 -0.2445 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