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
-6.2994 -3.0425 -0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5883 -2.5880 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6651 -1.0958 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5109 -0.2925 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3484 -0.4336 0.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0429 -0.2019 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1504 -0.5115 1.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8164 -0.2966 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2820 0.2059 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1378 0.5067 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5071 0.3017 -0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8927 0.3714 -0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1278 -0.6712 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7258 -1.7071 -0.9077 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 -0.5846 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0205 -1.6506 -1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3873 -1.5677 -1.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1261 -0.4406 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3610 0.5860 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9745 0.5428 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4874 -0.4328 -0.9484 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3523 0.5554 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4462 0.8558 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4096 1.9225 1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7182 2.4291 2.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1068 1.8998 3.2633 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6675 3.4932 2.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3164 4.0639 1.5282 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2771 -4.1668 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1933 -2.8384 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4643 -2.6532 -1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7330 -3.0848 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4025 -2.9377 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0010 -0.7602 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7207 -0.9075 -1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3962 -0.4367 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5972 0.7881 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5318 -0.9153 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1289 -0.5401 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 0.9003 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1611 0.5539 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.5647 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9541 -2.3946 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8952 1.4971 -0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 1.4081 0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1128 1.5629 -1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3631 0.3259 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5341 1.0769 1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9144 -0.0630 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8583 3.8367 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1375 3.7290 0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0298 4.8581 1.6771 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