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
-6.5408 -0.5115 1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5144 -0.9895 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8478 0.0451 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0015 1.2573 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7497 1.1910 -1.5066 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5407 0.7498 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4740 0.9818 -2.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2088 0.5564 -1.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 -0.1230 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8755 -0.3485 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1663 0.0700 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4391 -0.5534 -0.4952 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2816 0.3430 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8124 1.4779 0.5295 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6458 0.0333 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1649 -1.1887 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4883 -1.5316 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2682 -0.6155 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7543 0.6061 1.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4271 0.9417 1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5737 -0.9473 1.3927 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6451 -0.6806 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3522 -0.1075 -0.5462 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0140 -1.0404 0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9632 -0.7549 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0477 -1.2087 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6068 -0.4292 1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1217 0.5178 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5940 -1.5427 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3387 -1.7720 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8359 -0.4663 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9310 0.3689 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5857 1.9571 -1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0749 1.8897 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7573 1.5166 -3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3948 0.7370 -2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6110 -0.8880 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9119 -0.1191 0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5283 -1.8883 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8966 -2.4845 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3802 1.3096 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0231 1.8951 1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2180 -1.5302 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7083 -0.2651 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0009 -0.9945 0.1879 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