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
6.9654 4.9280 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6773 4.8666 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6539 3.9327 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2233 2.5499 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4147 1.6029 1.4640 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2109 1.0619 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4874 1.4251 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2411 0.8199 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 -0.1310 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 -0.4764 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7075 0.0887 2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4937 -0.6844 0.4194 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7976 -1.7567 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1733 -2.3344 -0.9446 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1714 -2.2095 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1934 -1.5576 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4967 -1.9907 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7748 -3.0849 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7669 -3.7425 -1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4522 -3.2889 -1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0946 -3.4987 -0.9260 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0035 -3.0494 -1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6753 -2.1859 -2.6849 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3933 -3.5511 -1.8818 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7238 -4.4524 -0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7553 4.3978 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9172 4.4995 2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3069 5.9841 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2451 5.8985 0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8421 4.5258 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4301 4.2201 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7715 3.9820 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4293 2.2653 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2400 2.5473 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8334 2.1620 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7217 1.1556 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1231 -1.2203 2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2982 -0.1982 2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0168 -0.7017 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2710 -1.4602 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0054 -4.6064 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7153 -3.8516 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1002 -3.1939 -2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7147 -4.8645 -0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0250 -4.8223 -0.2630 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