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
-7.6107 0.8946 1.7815 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8705 -0.2791 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0390 -0.0802 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5594 -0.0214 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7870 0.1657 -1.2444 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4080 0.2429 -1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7871 0.1400 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4209 0.2111 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6448 0.3926 -0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2501 0.4971 -2.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6292 0.4247 -2.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7251 0.4620 -0.7099 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5719 -0.6264 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0826 -1.7545 -0.9443 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0163 -0.4578 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8396 -1.5467 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1981 -1.3806 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7426 -0.1316 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8986 0.9635 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5452 0.7928 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1172 0.0380 -0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6054 -0.0356 1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8078 -0.2489 2.2346 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0241 0.1307 1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8370 0.3517 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2781 1.7652 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4976 1.1637 2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7428 0.5975 2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9317 -0.2871 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6245 -1.2343 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2932 0.8769 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2330 -0.9442 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3357 0.7389 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2789 -1.0354 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4220 -0.0018 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0027 0.1224 1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6285 0.6410 -2.9943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0323 0.5145 -3.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4293 -2.5301 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8816 -2.2182 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3436 1.9473 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 1.6497 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3911 0.0709 2.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4732 0.4110 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8860 0.4754 0.7390 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