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
-8.9569 -1.3700 -1.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7065 -0.3099 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3110 0.2543 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9646 1.3239 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7181 1.8425 0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4510 1.3512 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1142 0.0556 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8155 -0.4105 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7765 0.4370 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 1.7288 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3745 2.2065 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4607 0.0620 0.4473 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2440 -0.4652 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3293 -0.6386 -1.6984 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6482 -0.8112 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2683 -0.6170 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6051 -0.9433 1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 -1.4775 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7237 -1.6712 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4105 -1.3437 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6948 -1.8274 0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5825 -1.7495 1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0126 -0.4299 1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6574 0.4458 0.8317 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3051 1.0779 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1682 0.8976 -0.7694 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 1.9941 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3992 2.2296 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4873 -2.2335 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6068 -0.9987 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0196 -1.7763 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7297 -0.7372 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4268 0.5427 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3082 0.7027 -1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6086 -0.5767 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9803 0.8342 1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7253 2.1454 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8934 -0.6538 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 -1.4335 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2994 2.4422 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6267 3.2232 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6704 -0.1905 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0257 -0.7783 2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3039 -2.0903 -2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8935 -1.4908 -2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2203 -2.3277 2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4984 -2.3828 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1434 0.0331 2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7512 -0.6701 2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8518 2.4766 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0390 2.8988 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7641 1.7560 0.3156 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