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
-7.4945 -0.5623 -2.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2538 0.5523 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1969 0.0548 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8731 1.0794 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9142 0.6642 1.5931 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6045 0.4034 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9770 0.5527 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6213 0.2493 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8602 -0.2109 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5175 -0.3477 2.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8328 -0.0672 2.4162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4826 -0.5080 0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4912 0.4337 1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1306 1.5780 1.3419 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8987 0.1139 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8339 1.1022 1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1958 0.8433 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6453 -0.4050 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6977 -1.3846 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3410 -1.1346 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9978 -0.6517 0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6643 -0.4880 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0103 -0.0924 -1.8841 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0961 -0.7541 -1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7355 -0.6024 -2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4648 -0.4056 -2.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6480 -0.5894 -3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5021 -1.5322 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1729 0.8337 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7884 1.3946 -1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7121 -0.8267 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3252 -0.2709 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5164 1.9966 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8245 1.3218 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4963 0.9348 -0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 0.3746 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9312 -0.7090 3.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3198 -0.1907 3.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 2.1231 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9394 1.6195 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0312 -2.3766 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6195 -1.9421 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6211 -1.0919 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7916 -0.8181 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2017 -0.2637 -3.0433 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