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
-8.8453 0.6649 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3734 0.7457 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8939 -0.1494 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3770 0.0539 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7426 -0.2880 0.1633 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3674 -0.1676 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7125 -0.4926 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3253 -0.3619 1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6057 0.0832 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2521 0.4088 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6180 0.2790 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7591 0.2002 0.5008 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5742 -0.8667 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1123 -1.9634 -0.2288 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0119 -0.7181 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8545 -1.7665 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2109 -1.6489 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7094 -0.4445 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8867 0.6125 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5301 0.4873 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0772 -0.2620 0.5983 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8884 0.2108 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3616 0.4968 -1.5149 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3137 0.3850 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0364 0.8390 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3466 -0.1425 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0712 0.4763 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2831 1.6668 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8218 0.4713 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0455 1.7863 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3121 0.2486 -1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1497 -1.2007 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9657 -0.5383 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1546 1.1156 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2947 -0.8446 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8347 -0.6231 2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6775 0.7543 -1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1641 0.5255 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3862 -2.6775 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8874 -2.4499 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3004 1.5610 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 1.3148 0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7885 0.1500 0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5796 1.0899 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0834 0.9784 -1.1483 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