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
-8.2620 1.7031 1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2707 1.3796 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9558 0.4575 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2175 0.0192 -2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0624 -0.6225 -1.9139 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7903 -0.5892 -1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1112 0.4830 -1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7768 0.3662 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0692 -0.7863 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7289 -1.8688 -1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0545 -1.7919 -1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -0.9062 -0.4917 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3213 -0.6611 -1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0961 -0.2883 -2.4880 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -0.8027 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0274 -1.2068 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3376 -1.3631 0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3669 -1.1016 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0510 -0.6874 -1.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7654 -0.5476 -1.7479 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6929 -1.2078 0.2939 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1973 -1.5364 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9137 -0.4463 2.5333 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5482 0.7476 2.0499 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9066 0.8687 1.8702 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6433 -0.1157 2.1461 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 2.0893 1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8234 2.1697 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0909 2.7102 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1224 0.9241 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3086 1.6269 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3797 0.8731 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9707 2.3052 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9460 0.9113 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2051 -0.4867 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9702 -0.6649 -2.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1950 0.9135 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6139 1.4274 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2938 1.2278 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1689 -2.8031 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5407 -2.6704 -2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2154 -1.4191 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5177 -1.7210 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8680 -0.4802 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5379 -0.2239 -2.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5907 -2.4368 1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2752 -1.8188 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4262 -0.6599 3.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8623 -0.2283 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8994 2.9228 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4531 1.3330 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2713 3.0718 0.8486 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