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
-6.8170 -0.3170 -1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6855 -0.2382 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2375 0.8371 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8253 0.5645 0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9845 0.5598 -0.2817 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6028 0.3297 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0236 0.1024 1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6689 -0.1250 1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8414 -0.1311 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4231 0.0965 -1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7756 0.3236 -1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5222 -0.3555 0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4523 0.6309 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0977 1.8283 0.4973 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 0.3097 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8128 1.2969 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1695 1.0144 0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6209 -0.2862 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6867 -1.2777 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3433 -0.9948 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9775 -0.5367 0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8333 -0.5642 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3595 -0.3516 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2562 -0.8307 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0323 -0.8471 -1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4415 -0.7474 -2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4078 0.6577 -2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9614 -1.0158 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5470 -1.2124 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7579 -0.1439 -0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8776 0.8715 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1933 1.8302 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5162 1.3312 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7664 -0.4074 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6650 0.1055 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 -0.3041 2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7986 0.0974 -1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2313 0.5020 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4417 2.3186 0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8233 1.8636 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0210 -2.2958 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6031 -1.7757 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6451 -1.0095 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0834 -1.0410 -1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6239 -0.6629 -2.1767 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