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
-6.9811 1.8211 1.9351 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6991 1.1268 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2581 -0.3164 0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0049 -0.9128 -0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0284 -0.2603 -1.1841 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7043 -0.1633 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0833 -0.7644 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -0.6416 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9513 0.1116 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5417 0.7321 -1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8745 0.6064 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4117 0.2908 -0.2458 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3492 -0.5770 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8834 -1.5141 -1.5004 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7736 -0.4027 -0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2978 0.6247 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6871 0.7580 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5349 -0.1396 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0098 -1.1609 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 -1.2979 -1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8944 0.0083 -0.1936 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6348 -0.5519 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0726 -1.2637 1.6759 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0748 -0.3609 0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7159 0.3896 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2450 1.5532 2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0182 1.5233 2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9925 2.9110 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6541 1.0588 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9655 1.6654 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1430 -0.7989 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4093 -0.3250 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8148 -2.0270 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9712 -0.8047 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6161 -1.4154 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 -1.1379 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9079 1.3430 -2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3539 1.0951 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6592 1.3485 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0510 1.5886 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6426 -1.8767 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2941 -2.1286 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6699 -0.7913 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1629 0.8487 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7792 0.5653 0.0623 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