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
7.4524 1.4475 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6028 -0.0531 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1630 -0.3166 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7252 0.1177 0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9245 -0.6236 -0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5530 -0.4182 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9014 0.4996 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5230 0.6541 0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7783 -0.0898 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4465 -0.9961 -1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 -1.1478 -1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5958 0.0064 -0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4616 -0.7587 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9666 -1.5720 1.0919 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9201 -0.6869 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7612 -1.4760 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1341 -1.4075 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7388 -0.5425 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8917 0.2460 -0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5193 0.1783 -0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1210 -0.4673 -0.2707 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8925 0.4020 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2862 1.1312 1.3153 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3196 0.4831 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0498 1.2986 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1493 1.8298 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6989 1.9775 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4079 1.7019 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6485 -0.3847 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9619 -0.5765 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7627 0.2478 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2792 -1.3827 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6105 1.2023 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4203 -0.1768 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4658 1.0930 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9892 1.3628 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9060 -1.6146 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2856 -1.8679 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3073 -2.1677 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7981 -2.0418 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3430 0.9385 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 0.8071 -1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8202 -0.1576 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5555 1.9362 1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1216 1.3648 0.9704 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