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
-9.3025 0.0737 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9229 -0.5172 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8990 0.5120 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4960 -0.0457 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5808 0.9382 0.7387 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2106 0.6607 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7606 -0.5477 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3994 -0.7999 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4740 0.1177 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9249 1.3268 1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2907 1.6136 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8716 -0.1601 0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6195 0.1341 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0402 0.6690 -1.5704 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0505 -0.1799 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6471 -0.7679 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0079 -1.0603 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8043 -0.7880 -0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1982 -0.1988 -1.7255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8309 0.1020 -1.7117 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1652 -1.0753 -0.6772 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1071 -0.1467 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6469 0.9462 0.1645 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5243 -0.4484 -0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4111 0.4202 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2437 1.1353 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6513 -0.0402 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0132 -0.4509 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7909 -0.7188 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8338 -1.4314 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0287 1.4555 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0546 0.6803 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3920 -0.9606 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2875 -0.3125 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4761 -1.2748 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0330 -1.7512 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2231 2.0788 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6805 2.5401 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0319 -0.9880 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4509 -1.5167 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7879 0.0282 -2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3546 0.5625 -2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8495 -1.4054 -0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0957 1.3857 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4743 0.2060 0.0709 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