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
-7.4630 1.4698 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2437 0.8229 -1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1287 -0.6390 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0289 -0.8324 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9724 -0.2376 1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6440 -0.3943 1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0170 -1.3177 0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6370 -1.4493 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8474 -0.6262 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4415 0.3076 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8000 0.4309 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5293 -0.7905 0.9183 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 -0.0632 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5715 0.7109 -0.7776 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -0.1847 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3078 0.5656 -1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6924 0.4875 -1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3995 -0.3663 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7513 -1.1194 0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3895 -1.0366 0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7712 -0.4517 -0.7169 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6507 0.3639 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1307 1.2108 0.7573 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0944 0.3038 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9143 1.0988 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4054 0.9604 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5135 2.5038 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4155 1.5139 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3602 1.3764 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3139 0.9078 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0298 -1.1809 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2776 -1.0744 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9297 -1.9582 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0068 -0.6148 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5766 -2.0113 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1857 -2.1858 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7783 0.9454 2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2677 1.1671 2.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7090 1.2215 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1748 1.0808 -2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3812 -1.7628 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9160 -1.6312 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4999 -0.4177 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5049 1.8254 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9875 1.0708 0.3422 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