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
-7.5861 -1.4881 -1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1680 -1.3659 -2.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7366 0.0789 -2.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8149 0.8359 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0332 0.3247 -0.0803 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6949 0.2026 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8014 0.6595 -0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4231 0.4942 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9449 -0.1204 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8294 -0.5809 1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1743 -0.4319 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4072 -0.2745 0.6295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2261 0.6246 1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7423 1.6872 1.7159 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6446 0.3301 1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4620 1.2383 2.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8127 0.9919 2.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4087 -0.1555 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5790 -1.0586 1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2247 -0.8185 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7670 -0.3988 1.8028 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5960 0.0652 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0723 0.6609 -0.2128 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0240 -0.1232 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7693 0.3215 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7720 -2.5634 -1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7750 -0.9424 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3153 -1.1881 -2.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1114 -1.8377 -3.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4994 -1.9190 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7482 0.0664 -2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4816 0.5659 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8918 0.9349 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5222 1.9238 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1168 1.1737 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7411 0.8669 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4933 -1.0790 2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8624 -0.7923 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0407 2.1685 2.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4606 1.7228 2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0307 -1.9764 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6036 -1.5621 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5196 -0.6315 1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8442 0.2075 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3018 0.8306 -1.0317 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