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
-8.4532 0.1432 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7136 -0.4172 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3469 0.2657 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7117 -0.3667 -1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4716 0.0681 -2.0455 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2523 0.0807 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9397 -0.4137 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6237 -0.3359 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6091 0.2314 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 0.7247 -1.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2034 0.6512 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6882 0.2923 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6081 -0.7229 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2861 -1.7372 -0.8714 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9672 -0.6615 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3797 0.4416 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6659 0.4754 1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5510 -0.5586 1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1517 -1.6533 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8643 -1.6822 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8392 -0.4997 1.8309 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8266 0.0870 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5106 0.5317 -0.0898 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1974 0.1754 1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1108 0.7357 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3161 -0.5756 1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5415 0.2446 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0899 1.1640 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5398 -1.5068 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3348 -0.2396 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7845 0.1281 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4872 1.3640 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7242 -1.4700 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4162 -0.1971 -2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7052 -0.8751 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3783 -0.7273 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 1.1774 -2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4388 1.0434 -3.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6555 1.2240 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9584 1.3392 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8651 -2.4532 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5657 -2.5502 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4491 -0.2110 2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8446 1.1227 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1496 0.8334 1.0374 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