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
7.7404 1.3195 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5440 0.6265 -1.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2542 -0.5996 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9859 -0.0690 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9091 0.7858 0.9012 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5953 0.5041 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6785 1.5826 0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3530 1.3626 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8257 0.1267 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6973 -0.9306 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0573 -0.7280 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 -0.0154 -0.0838 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4040 -0.2771 0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9621 -0.3806 2.1225 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8229 -0.4140 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2836 -0.2929 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6196 -0.4217 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5572 -0.6774 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1163 -0.8026 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7665 -0.6727 1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9104 -0.8197 -0.2512 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7976 0.2736 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2936 1.3786 0.0409 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2191 0.1012 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7459 -1.0619 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5064 2.2380 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3168 0.6276 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3989 1.6209 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6568 1.2843 -1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 0.3249 -2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4875 -1.2175 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2068 -1.1848 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8921 0.4677 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8596 -0.9309 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0782 2.5787 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6967 2.2314 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 -1.9555 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7258 -1.5975 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 -0.0879 -1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9365 -0.3199 -1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8140 -1.0084 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4740 -0.7776 2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8492 0.9737 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1097 -1.9390 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7965 -1.2265 -0.9294 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