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
-6.8843 0.0976 -1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5595 -0.4791 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1551 0.5888 0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8643 -0.1497 1.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8531 -1.0796 1.8535 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5347 -0.8350 1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6975 -1.9710 1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3517 -1.8232 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -0.5796 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5625 0.5408 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9358 0.3863 1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5619 -0.4702 0.9324 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1624 -0.4506 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4553 -0.5377 -1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6159 -0.3306 -0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4530 -0.2306 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8069 -0.1204 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4029 -0.1017 -0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5463 -0.2030 -1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1754 -0.3156 -1.7226 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7818 0.0129 -0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4356 1.2364 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7205 2.2621 -1.0071 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8811 1.3489 -1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6463 0.2680 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1487 1.1721 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0674 -0.0065 -2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7638 -0.4702 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7340 -1.1947 -0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4179 -1.0301 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3426 1.1830 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0364 1.2601 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8288 -0.6076 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6427 0.6508 2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1546 -2.9546 1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7230 -2.7227 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1633 1.5354 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5489 1.2824 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9870 -0.2452 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4339 -0.0435 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9767 -0.1918 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5180 -0.3940 -2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3036 2.3408 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1818 -0.6889 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7108 0.4159 -1.2918 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