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
-7.9130 0.1276 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5704 0.6635 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0208 1.5146 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8561 0.6588 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0023 -0.4186 -0.7116 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6465 -0.4185 -0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8559 0.6974 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4949 0.6835 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8909 -0.5490 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6518 -1.7053 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9873 -1.6604 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4638 -0.6094 0.2281 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4012 -0.6430 -0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9239 -0.6141 -1.9742 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8328 -0.7068 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7502 -0.7396 -1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1130 -0.8006 -1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5503 -0.8286 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6438 -0.7964 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2814 -0.7352 0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9026 -0.8891 0.2856 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6984 0.2367 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1459 1.3601 0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1254 0.1529 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8374 1.2398 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5995 -0.0914 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6778 -0.7791 0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3578 0.8855 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6829 1.2625 2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8833 -0.1636 1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8110 2.2833 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1804 2.0739 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4712 1.3541 -1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8682 0.3479 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3023 1.6755 -0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9061 1.5841 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 -2.6764 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -2.5795 -0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4360 -0.7189 -2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8004 -0.8248 -2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9716 -0.8177 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5635 -0.7095 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6340 -0.7963 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3666 2.2125 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8962 1.2576 1.0738 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