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
-7.4541 -1.2608 -2.1136 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2767 0.0577 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1961 -0.1443 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9418 1.0920 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9349 0.9005 1.4037 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6244 0.6734 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0674 0.6413 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7098 0.3928 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8508 0.1670 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3917 0.1976 1.9558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 0.4392 2.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4870 -0.0735 0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4460 0.9097 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0673 2.0968 0.5209 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 0.6443 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7530 1.6806 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0998 1.4522 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4913 0.1652 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6183 -0.9162 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 -0.6445 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8213 -0.1375 -0.7721 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7534 -0.4083 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3401 -0.3685 1.4074 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1520 -0.7252 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9740 -0.9701 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4438 -1.6381 -2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9629 -1.9607 -1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0198 -1.0503 -3.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2255 0.3327 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9526 0.8161 -2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6800 -0.8702 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2928 -0.6147 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8856 1.4484 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6351 1.9091 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6918 0.8469 -1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3221 0.3777 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 0.0202 2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1099 0.4543 3.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4760 2.7180 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8371 2.2370 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9367 -1.9375 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5361 -1.4346 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5155 -0.7623 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6537 -0.9447 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0074 -1.2062 0.7031 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