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
7.1992 -0.5791 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4658 -0.5941 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8611 0.5566 -2.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3569 0.6121 -1.9247 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 0.7383 -0.6019 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5832 0.8016 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1101 0.9282 0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7598 0.9913 1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8280 0.9319 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 0.8073 -1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6371 0.7422 -1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5469 0.9935 0.5014 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3037 -0.1442 0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7148 -1.2528 0.7136 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -0.0571 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4924 -1.1826 1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8450 -1.1360 1.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5164 0.0773 1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7661 1.2128 1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4013 1.1544 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8876 0.1322 1.7412 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7632 0.0614 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2796 -0.0483 -0.4864 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2082 0.1111 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0041 0.0409 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0917 -0.9853 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0017 0.4263 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3442 -1.2245 0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1314 -1.5752 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5637 -0.5491 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3436 1.4933 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0657 0.3919 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8710 -0.2696 -2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0299 1.5450 -2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8231 0.9763 1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3896 1.0900 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5747 0.7600 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 0.6436 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0195 -2.1664 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3827 -2.0465 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2659 2.1728 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8149 2.0469 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5993 0.2056 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6262 -0.0542 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0751 0.0791 -0.0848 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