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
7.8748 -0.9114 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7792 -0.0013 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2780 0.8588 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7380 -0.0345 1.7328 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6990 -0.8550 1.3924 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4379 -0.6728 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 0.5658 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 0.7559 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 -0.3411 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3164 -1.6068 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6112 -1.7691 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 -0.1477 -0.3671 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5057 -0.0608 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2301 -0.1568 1.7768 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8863 0.1420 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2207 0.2528 -1.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5289 0.4447 -1.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5425 0.5337 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2403 0.4276 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9251 0.2352 1.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8844 0.7292 -1.0121 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6338 -0.4131 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1388 -1.5589 -1.1105 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0319 -0.2963 -1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5665 0.8990 -1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3197 -0.5204 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4797 -1.9247 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6701 -0.9592 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1865 0.6860 -1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9593 -0.6359 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2002 1.3867 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 1.6128 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6224 -0.6854 2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5606 0.5717 2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4172 1.4837 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1772 1.7652 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6861 -2.4743 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 -2.7589 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3958 0.1789 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7717 0.5280 -2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0081 0.4910 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6512 0.1467 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6328 -1.2047 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9823 1.7762 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5964 0.9883 -2.0213 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