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
-7.8398 -1.0126 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5738 -1.1746 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1586 0.1529 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9382 1.1726 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9564 0.8218 -0.7205 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6104 0.6421 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9191 0.8170 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5461 0.6104 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8208 0.2171 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 0.0362 -1.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8344 0.2380 -1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5355 -0.0069 -0.3308 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 0.9533 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1145 2.1146 -0.8599 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8891 0.5623 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2669 -0.7221 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5977 -1.1092 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5638 -0.1727 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1899 1.1218 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8524 1.5087 -0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9087 -0.5394 -0.3461 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6274 -0.4521 0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0610 -0.0331 1.8546 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0544 -0.8417 0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6722 -1.2827 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4577 -0.1538 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6105 -0.8941 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4526 -1.9272 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7375 -1.4669 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6312 -1.9409 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9738 0.4789 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2923 -0.0629 1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7287 2.1945 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9295 1.3198 -0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4349 1.1487 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0294 0.7581 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 -0.2798 -2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3409 0.0906 -2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4893 -1.4557 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8551 -2.1268 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9743 1.8530 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6676 2.5316 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5972 -0.7616 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1380 -1.3632 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6964 -1.5639 -0.1486 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