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
-7.5777 1.5440 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7444 0.1796 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0660 0.0267 0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5915 0.2643 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9405 -0.6376 -0.0375 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5671 -0.5088 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8659 -1.3499 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4926 -1.2273 -1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7668 -0.2675 -0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4676 0.5725 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8342 0.4504 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6069 -0.1727 -0.6798 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5181 -0.8619 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0518 -1.5996 1.0052 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9547 -0.7491 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4665 0.0595 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8440 0.1322 -1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7260 -0.5650 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1806 -1.3680 0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7953 -1.4658 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0869 -0.5277 -0.5522 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9116 0.3635 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2779 1.1592 0.8466 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3534 0.3735 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0493 1.2579 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4580 1.7550 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5578 2.3510 -0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6892 1.5595 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8403 0.0099 -0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3101 -0.5657 -1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2268 -1.0082 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4926 0.7316 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1735 0.0395 1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3467 1.3121 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4106 -2.1082 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9414 -1.9018 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9424 1.3231 0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3979 1.1182 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8281 0.6385 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3028 0.7498 -1.9974 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8034 -1.9562 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3915 -2.0939 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8544 -0.3235 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5776 1.9858 1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1209 1.3010 0.5754 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