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
-7.4641 -0.4449 -2.9885 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8574 0.5147 -1.9477 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7816 0.6992 -0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3008 1.6579 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1630 1.4878 0.8804 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8417 1.4163 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2205 1.1381 2.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8615 1.0449 2.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 1.2229 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6587 1.4926 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0200 1.5920 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 1.1336 1.2521 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1099 -0.1190 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 -1.1154 0.8020 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3200 -0.3153 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8706 -1.5555 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2572 -1.7566 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0725 -0.7159 1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 0.5766 1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1634 0.7350 1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4212 -0.8209 1.3999 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1910 -1.9441 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1531 -2.3876 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6511 -1.3539 -1.0927 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9471 -0.9238 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7028 -1.4363 -0.1185 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4365 0.1272 -1.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6732 0.5457 -1.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6177 -0.9678 -3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9174 0.1991 -3.7697 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1736 -1.1110 -2.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6029 1.4613 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9244 0.0453 -1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9931 -0.2931 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8092 1.0219 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4290 2.7219 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1634 1.7020 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8223 0.9917 3.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4349 0.8261 3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0555 1.6424 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4401 1.8178 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 -2.3972 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5886 -2.7460 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2049 1.3850 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7727 1.7480 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7922 -2.8250 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2301 -1.8003 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1461 -2.5956 -0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7833 -3.3082 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7838 0.5620 -2.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3168 0.0986 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0776 1.3260 -2.3586 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