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
-10.0748 0.7464 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7242 0.3153 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1407 -0.7509 1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7860 -1.1294 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0086 0.0260 0.4760 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7197 0.1292 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0850 -1.0062 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7898 -0.8651 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1619 0.3744 -0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8023 1.4892 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0972 1.3533 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 0.4719 -1.3573 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 0.2721 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0448 -0.0016 0.6797 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5979 0.3595 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6228 0.1461 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9492 0.2146 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3195 0.5045 -1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2844 0.7267 -2.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9735 0.6505 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6236 0.5874 -2.0920 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7992 0.3815 -1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0282 -1.0141 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2302 -1.1668 -0.2048 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5964 -0.5196 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7829 0.2979 1.4576 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8933 -0.7737 1.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2648 -0.1668 2.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4136 0.0059 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9885 1.7446 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8027 0.7991 -0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0438 1.1901 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8539 -0.1042 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8098 -1.6155 1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9189 -0.2895 2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0025 -1.5575 -0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3622 -1.9445 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6129 -1.9376 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2951 -1.7461 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2526 2.4187 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5875 2.2449 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 -0.0919 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6860 0.0495 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5924 0.9583 -3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1879 0.8284 -2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6695 0.7119 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8122 1.0600 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1514 -1.6592 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1872 -1.4230 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5674 -1.4809 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6133 0.5441 3.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2203 -0.3582 3.1460 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