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
-7.9684 1.0501 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4723 -0.2533 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7625 -1.3466 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1613 -1.2782 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8649 -1.2807 -1.5886 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6620 -0.8112 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3755 0.4052 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0730 0.8162 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 0.0619 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 -1.1306 -1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5780 -1.5827 -1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7025 0.4542 -0.9318 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 0.1172 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 -0.5726 1.0615 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4355 0.5131 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1008 1.2618 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4103 1.6454 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1213 1.2674 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4585 0.5261 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1241 0.1452 1.4746 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4141 1.6738 0.8260 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3778 1.4735 1.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7945 0.0471 1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3085 -0.4605 0.6815 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4222 0.0096 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0524 0.9780 0.5261 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8780 -0.5816 -1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2206 -1.5873 -1.7747 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5722 1.1886 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4849 1.8619 0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0561 1.1286 0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0710 -0.3890 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4326 -0.1623 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4284 -2.3132 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8738 -1.4958 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5883 -2.1520 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6790 -0.4045 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2073 1.0280 -0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9016 1.7865 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4940 -1.7777 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7731 -2.5451 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6186 1.5984 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9440 2.2326 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9579 0.2241 2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6955 -0.4454 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0949 1.9057 2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2878 2.0827 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6145 -0.0757 2.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0043 -0.6244 2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7479 -0.1996 -1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3481 -1.9748 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5410 -2.0379 -2.7068 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