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
-7.5919 0.5606 -1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8414 0.8860 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0753 -0.1370 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6132 0.0194 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7980 -0.8822 0.9492 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4338 -0.8463 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8728 0.0272 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5315 0.0792 -0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6722 -0.7564 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1807 -1.6508 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5578 -1.6935 1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7027 -0.7736 0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5635 0.0175 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0409 0.7559 1.6182 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0175 -0.0080 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8198 0.8039 1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1876 0.8077 1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7387 -0.0156 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9355 -0.8263 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5810 -0.8186 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0972 -0.0498 -0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6747 0.7975 -0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9229 1.6049 -1.5603 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1013 0.7769 -1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8543 -0.0703 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3880 -0.5304 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4719 0.8538 -2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6519 1.0717 -2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3781 1.8768 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8940 0.8772 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3974 -1.1693 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2404 0.1613 1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4555 -0.1607 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2838 1.0644 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5557 0.7016 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1548 0.7771 -1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 -2.3418 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9848 -2.3782 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3458 1.4323 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8060 1.4482 1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3746 -1.4591 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9544 -1.4460 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5275 1.4475 -1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4032 -0.7400 0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9338 -0.0948 -0.6725 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