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
9.1077 -1.2170 1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7815 -1.2073 1.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3858 0.2438 2.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3026 0.9797 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3885 0.4516 -0.0276 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0273 0.3009 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3992 -0.3381 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0618 -0.4947 -1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2411 -0.0576 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8452 0.5603 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2063 0.7358 1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8811 -0.2879 -0.2055 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0134 0.6045 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5161 1.6691 -1.2534 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4186 0.3315 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2327 1.2576 -1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5874 1.0369 -1.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1773 -0.1180 -1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3693 -1.0459 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9982 -0.8215 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5142 -0.3571 -1.3520 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0602 -1.5589 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5385 -1.5439 -1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0949 -0.4213 -0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4229 -0.0821 -0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2147 -0.7961 -1.1478 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8530 1.1163 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9909 1.8572 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7094 -0.3118 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7009 -2.1398 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9945 -1.2822 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0116 -1.5982 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7606 -1.8209 2.7436 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2719 0.6173 2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4825 0.2830 2.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3352 0.8698 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1533 2.0812 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0049 -0.6962 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -1.0010 -1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 0.9114 1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6256 1.2607 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 2.1686 -1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2247 1.7597 -2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7960 -1.9811 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3555 -1.5508 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5508 -2.4450 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9375 -1.6113 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9869 -2.4894 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7501 -1.4549 -2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9038 1.3871 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9447 1.5777 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3281 2.7251 1.4262 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