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
-9.1332 -0.8534 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6391 -0.8850 -1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9798 0.0669 -0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4852 -0.0683 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7673 0.7819 0.3879 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3802 0.7622 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6166 1.5610 1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2441 1.5311 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 0.7134 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3297 -0.0846 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7042 -0.0649 -0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8008 0.6509 0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6321 -0.1884 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 -0.9812 1.5982 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0784 -0.1762 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6935 0.6780 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0751 0.7054 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8619 -0.1549 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2743 -1.0189 1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8893 -1.0285 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2237 -0.1329 0.0424 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0994 0.6626 0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6204 1.4176 1.6363 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5310 0.6564 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1019 -0.1100 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4691 -1.6297 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5255 0.1466 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5267 -1.1744 -2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2926 -1.9043 -1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2593 -0.5850 -2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1968 -0.2075 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3073 1.1043 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1839 -1.1150 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2448 0.1653 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1576 2.2012 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6592 2.1742 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8243 -0.7334 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2765 -0.6969 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0810 1.3584 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5632 1.3713 -1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8756 -1.6893 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4622 -1.7152 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1607 1.3006 1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1738 -0.0988 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4439 -0.7552 -0.9664 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