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
-8.7243 0.3442 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2439 0.0771 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9206 -1.1011 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4091 -1.2699 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7561 -0.1114 0.5971 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3727 -0.0946 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 1.0241 1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2943 1.0551 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5898 -0.0662 0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2865 -1.1746 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 -1.2050 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 -0.1288 0.7389 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4712 0.2884 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8923 0.7159 -1.4247 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9477 0.2232 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6626 0.6265 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0258 0.5596 -1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7476 0.1048 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0064 -0.2962 0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6298 -0.2376 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1209 0.0308 -0.3394 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9219 1.0797 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3042 2.1176 0.4842 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3671 0.9990 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9731 -0.0951 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9061 1.3647 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1110 0.3032 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3084 -0.3568 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9058 -0.2176 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6850 0.9652 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4089 -2.0033 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2011 -0.9161 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 -1.5463 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1696 -2.0855 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2429 1.8773 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 1.9205 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7402 -2.0424 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1810 -2.0938 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1279 0.9962 -2.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6110 0.8748 -2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5218 -0.6695 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0353 -0.5511 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9285 1.8382 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0610 -0.1565 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4677 -0.9669 -0.6064 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