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
-8.4265 -0.4121 -1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1375 -1.1198 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9254 -0.2965 -1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8873 0.0077 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8352 0.7446 0.8758 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4974 0.5560 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8772 -0.5721 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4866 -0.7410 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7045 0.2390 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2959 1.3906 1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6607 1.5481 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6766 0.1457 1.1356 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4591 0.6010 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8781 1.0851 -0.9197 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9341 0.5192 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5524 -0.0135 1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9318 -0.0794 1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6860 0.3779 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0473 0.9079 -0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6641 0.9798 -0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0913 0.3011 0.2797 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7357 -0.8313 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0162 -1.7514 -0.6577 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1839 -0.9778 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9671 -0.0304 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8952 -0.9743 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3036 0.6494 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1038 -0.4876 -1.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0427 -1.3210 -2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0401 -2.0961 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0520 -0.8175 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0016 0.6528 -1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8656 0.5162 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9360 -0.9430 1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4053 -1.3949 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0408 -1.6656 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6711 2.1796 1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1578 2.4423 1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9714 -0.3839 2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4148 -0.4940 2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6707 1.2615 -1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1929 1.4061 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6417 -1.8778 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0357 -0.0961 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4989 0.8658 0.6874 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