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
-6.5103 -1.3049 0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1073 -1.2878 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5936 -0.0957 -1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1427 1.2535 -0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8670 1.5101 -1.0186 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6397 1.2894 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1947 0.3778 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8529 0.2420 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8835 0.9975 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3153 1.9188 -0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6399 2.0822 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4628 0.8947 0.2116 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3379 0.0618 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8672 -0.6584 -1.3647 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 -0.0244 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3323 0.7453 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6746 0.6241 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4858 -0.2365 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8909 -0.9982 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5427 -0.8950 -0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8453 -0.3451 0.6234 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3118 -1.2568 1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4748 -1.9793 2.1412 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7339 -1.3524 1.7972 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5713 -0.5809 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5951 -1.5340 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2604 -0.3621 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9344 -2.1112 1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6442 -2.1786 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0544 -1.5417 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3867 -0.2379 -2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7256 -0.0900 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5766 1.4476 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7626 2.0410 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9084 -0.2330 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5284 -0.4913 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5951 2.5569 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9160 2.8255 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 1.4058 1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1004 1.2326 1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5438 -1.6794 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1024 -1.5016 -1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0775 -2.0695 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6242 -0.6554 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2154 0.1300 0.4362 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