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
-8.5338 0.7138 1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0937 0.9339 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9454 1.3951 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4570 1.5910 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8316 0.3611 -0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4653 0.1798 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6552 1.2338 -0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2973 1.0822 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6977 -0.1361 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 -1.1880 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8717 -1.0459 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6553 -0.3772 -0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 -0.2306 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0733 0.1361 1.3959 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9810 -0.4916 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8245 -0.3324 1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1729 -0.5767 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7189 -0.9805 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8652 -1.1385 -1.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4965 -0.8934 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0756 -1.2278 -0.3445 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9915 -0.2701 -0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5454 0.8897 -0.9407 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4114 -0.5528 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9090 -1.7566 -0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2221 1.2443 1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7800 1.0477 2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8217 -0.3635 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5630 -0.0403 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5911 1.6539 2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5257 2.3130 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3025 0.5785 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0698 2.3946 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3039 1.9466 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0819 2.2068 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7196 1.9403 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0947 -2.1724 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4925 -1.8794 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4179 -0.0166 2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8609 -0.4584 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2828 -1.4544 -2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8289 -1.0171 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0846 0.2302 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9401 -1.9961 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2275 -2.5364 -0.3828 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