Monomers
4-Butoxyphenyl 4-(acryloyloxy)benzoate
Identifiers
IUPAC name
(4-butoxyphenyl) 4-prop-2-enoyloxybenzoate
InchI
InChI=1S/C20H20O5/c1-3-5-14-23-16-10-12-18(13-11-16)25-20(22)15-6-8-17(9-7-15)24-19(21)4-2/h4,6-13H,2-3,5,14H2,1H3
InchI Key
ICITWMHLOOTUIT-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Isomeric SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C20H20O5
Heavy Atom Count
25
Molecular Weight
340.375
Exact Molecular Weight
340.1311
Valence Electrons
130
Radical Electrons
0
tPSA
61.83
MolLogP
4.1761
H Bond Acceptors
5
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
45 46 0 0 0 0 0 0 0 0999 V2000
-6.6530 -2.3357 1.7367 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8640 -0.8677 2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8884 0.0014 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0172 -0.1893 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1186 0.5760 -0.9640 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7589 0.4592 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0625 1.3991 -1.7641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6890 1.3432 -1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9625 0.4087 -1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6553 -0.4902 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0456 -0.4723 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4047 0.3660 -1.1923 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 1.0673 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6332 1.7580 0.5599 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6741 1.0021 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4640 1.7048 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8471 1.6086 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4680 0.8462 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6545 0.1507 -1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2586 0.2295 -1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8625 0.7795 -0.7215 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6019 -0.1763 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9670 -0.9873 0.6683 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0437 -0.2440 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6954 -1.1629 0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6195 -2.6733 1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3326 -2.8931 2.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8186 -2.6059 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7025 -0.6862 3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8906 -0.6164 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8879 0.0112 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2830 1.0631 1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8377 -1.2611 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0816 0.0899 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6119 2.1503 -2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1294 2.0499 -2.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1506 -1.2567 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5502 -1.2093 0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0126 2.3239 1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4657 2.1638 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1239 -0.4554 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6460 -0.3273 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5619 0.4598 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2309 -1.9028 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7693 -1.1988 0.4330 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 2 0
22 24 1 0
24 25 2 3
11 6 1 0
20 15 1 0
1 26 1 0
1 27 1 0
1 28 1 0
2 29 1 0
2 30 1 0
3 31 1 0
3 32 1 0
4 33 1 0
4 34 1 0
7 35 1 0
8 36 1 0
10 37 1 0
11 38 1 0
16 39 1 0
17 40 1 0
19 41 1 0
20 42 1 0
24 43 1 0
25 44 1 0
25 45 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers