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
7.9822 -1.6928 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0440 -0.6709 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0535 0.4357 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6290 -0.0710 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7972 1.0550 -0.2291 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4092 0.8399 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5509 1.8987 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1870 1.7077 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6372 0.4360 -0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5093 -0.6078 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8687 -0.4239 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7496 0.2584 -0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5535 0.3095 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0003 0.5207 1.6661 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0027 0.1257 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8059 0.1756 1.5986 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1839 0.0022 1.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7372 -0.2293 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9624 -0.2848 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6007 -0.1058 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1111 -0.4068 0.1753 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0091 0.6116 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5294 1.7835 -0.1248 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4449 0.4241 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9897 -0.7700 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2491 -1.2064 -1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9803 -2.1267 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7517 -2.4701 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0554 -0.2154 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8900 -1.1370 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2361 0.9924 -0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1076 1.1123 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3297 -0.5336 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4505 -0.7830 -0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9533 2.8925 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4976 2.5379 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1154 -1.6206 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5704 -1.2393 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3856 0.3545 2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8134 0.0434 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4688 -0.4683 -1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0064 -0.1516 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1015 1.2656 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3482 -1.6220 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0509 -0.9457 -0.1031 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