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
7.5129 0.4407 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9352 -0.3663 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3141 0.6004 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7475 -0.1991 1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7685 -1.1107 1.6155 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5174 -0.8577 1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.9615 0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3961 -1.7958 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8829 -0.5481 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 0.5205 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0074 0.3892 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4221 -0.3739 -0.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4450 -0.2364 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1694 -0.2723 1.8092 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8381 -0.0504 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8260 0.0825 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1298 0.2565 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5164 0.3072 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5274 0.1742 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2172 -0.0007 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8585 0.4865 -0.8939 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7101 -0.6152 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1827 -1.7422 -0.8974 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1229 -0.4432 -1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6622 0.7435 -1.5264 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2736 -0.0936 -1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9606 1.3818 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6757 0.6717 -2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1271 -1.0478 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7456 -0.9080 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1429 1.2242 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6743 1.2558 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4047 0.5011 2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6301 -0.7211 2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0335 -2.9556 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7737 -2.6630 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3487 1.5199 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6080 1.2641 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5876 0.0514 2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8971 0.3597 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8167 0.2121 -2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 -0.1041 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7322 -1.3127 -1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7005 0.8600 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0454 1.6149 -1.4159 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