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
-6.7888 2.1712 1.7116 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5892 0.9456 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0526 -0.2168 1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8875 -1.3783 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0235 -1.0979 -0.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6908 -0.8249 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1217 -0.5437 -1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7886 -0.2550 -1.6676 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0100 -0.2464 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5022 -0.5142 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8695 -0.8050 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3357 0.0435 -0.6660 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2398 -0.9782 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8079 -2.1506 -0.9612 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6590 -0.6907 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1323 0.6024 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4684 0.9291 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3874 -0.0763 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9567 -1.3856 -1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5974 -1.6782 -1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7203 0.2893 -1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5310 0.3435 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0430 0.0587 0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9233 0.7210 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6559 0.7602 0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8494 2.7541 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5713 2.8104 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1189 1.8634 2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5651 0.6954 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8623 1.1961 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8083 -0.4798 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1520 0.0683 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5394 -2.2628 1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8939 -1.6037 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7583 -0.5548 -2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3407 -0.0336 -2.6492 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8612 -0.4995 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2428 -1.0340 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3829 1.3771 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 1.9595 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6718 -2.1806 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2557 -2.7029 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3370 0.9643 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7076 1.0431 0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2725 0.5219 1.7486 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