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
-7.3532 2.3863 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6770 3.4401 -1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8951 4.3591 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8500 3.5165 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9682 2.9337 -0.6194 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9026 2.1172 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1768 1.7000 -1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0958 0.8766 -1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6579 0.4007 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3458 0.7902 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4491 1.6339 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4345 -0.4268 -0.1829 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6340 0.0863 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6709 1.2870 0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8295 -0.7482 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0303 -0.2833 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1434 -1.1012 0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0896 -2.4264 0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8635 -2.8956 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7952 -2.0587 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1699 -3.2316 0.4815 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5913 -4.1578 1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8962 -4.3043 2.4130 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8440 -4.9322 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4978 -4.6785 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9892 2.8352 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5942 1.6960 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0259 1.8086 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9744 2.9212 -2.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3613 4.0771 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6354 4.8219 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4322 5.1248 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3106 4.2642 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3333 2.7883 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5254 2.0710 -2.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5255 0.5425 -2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0222 0.4359 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9583 1.9095 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0729 0.7458 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0610 -0.6724 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8573 -3.9039 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8512 -2.4421 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1239 -5.6563 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4300 -5.2196 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1732 -3.9315 -0.6171 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