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
9.6479 0.0730 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5141 -0.8883 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2160 -0.1222 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8673 0.5770 -1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7111 1.2876 -1.1067 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4266 0.8774 -0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0039 -0.4206 -0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6624 -0.7416 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7112 0.2453 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 1.5624 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4134 1.8500 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3990 -0.1273 -0.3754 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2223 -0.2842 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4454 -0.0750 1.8743 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6207 -0.6844 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3223 -0.9055 -0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6573 -1.2877 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3539 -1.4663 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6297 -1.2387 2.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3134 -0.8627 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6730 -1.8400 0.9615 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5988 -2.0989 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9765 -0.9665 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5081 0.0568 -0.0933 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9622 1.2548 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8917 1.4307 -1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4901 2.2534 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9266 3.4031 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6039 1.0008 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6571 0.2629 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5936 -0.4640 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4359 -1.6012 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7607 -1.4107 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4487 -0.8038 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3480 0.6357 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7779 -0.1572 -2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6956 1.2743 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6984 -1.2522 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3847 -1.7998 -0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3206 2.3360 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7109 2.9040 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7835 -0.7675 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1400 -1.4578 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1819 -1.3811 2.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7488 -0.6852 2.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1691 -2.9056 -0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5517 -2.4987 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2295 -0.6181 -1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8480 -1.3114 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5334 2.0690 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8914 3.6072 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3275 4.1631 0.5067 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