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
7.5309 1.7631 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6682 0.2534 -1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1121 -0.4220 0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6557 -0.1272 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8476 -0.5423 -0.6372 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4807 -0.3230 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6194 -0.7107 -1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2552 -0.4816 -1.4668 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 0.1280 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5518 0.5126 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 0.2830 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6696 0.3619 -0.2316 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5066 -0.5833 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 -1.6747 0.7762 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9641 -0.3262 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5013 0.8510 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8459 1.0791 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6982 0.1587 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1352 -1.0156 1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7926 -1.2628 1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0678 0.3588 0.8087 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8793 -0.0571 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4199 -0.5984 -1.2625 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3094 0.1380 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8159 0.7011 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4831 2.0819 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0138 2.0487 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1270 2.2236 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7573 0.0464 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2120 -0.1454 -1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6590 -0.0561 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2199 -1.5190 0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4787 0.9555 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3555 -0.6516 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0462 -1.1865 -2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 -0.7822 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1266 0.9919 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5353 0.5982 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8154 1.5800 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2847 2.0033 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7823 -1.7789 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3555 -2.2085 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9666 -0.1738 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8742 0.8474 1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1830 1.0232 1.7506 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