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
-8.4571 -0.9394 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2957 -0.3264 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9909 -0.4681 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5961 -1.8854 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4352 -1.9080 0.7721 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1573 -1.5356 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6374 -1.0373 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3153 -0.6647 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4415 -0.7931 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9497 -1.3099 1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2742 -1.6689 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8467 -0.4523 0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0465 -1.0489 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0559 -2.3070 0.5104 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3178 -0.2987 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5454 -0.8287 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6547 0.0021 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5235 1.3805 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2375 1.9241 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1885 1.0616 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5737 2.2364 0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4648 2.3079 -0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4043 1.5534 -1.9255 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5556 3.3176 -0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6120 4.0907 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2048 -0.1562 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1290 -1.4917 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9965 -1.6767 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2048 -0.7198 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4723 0.7787 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2276 0.0524 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1831 0.0468 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3830 -2.5066 0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4199 -2.3941 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2809 -0.9440 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -0.2696 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 -1.4231 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 -2.0646 2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6270 -1.8902 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6418 -0.4061 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0795 2.9612 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1891 1.4774 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2513 3.3682 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2461 4.8826 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8144 3.9524 0.9412 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