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
-7.2648 1.6523 1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5761 0.2534 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0912 0.1681 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6003 0.4316 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9234 -0.5221 0.0449 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5609 -0.4678 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9149 -1.3961 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5256 -1.3450 1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8067 -0.3279 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4602 0.6039 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8403 0.5211 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5721 -0.2482 0.6534 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4040 -0.9083 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 -1.5704 -1.1579 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8549 -0.8601 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4681 -0.1351 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8403 -0.0858 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6639 -0.7510 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0451 -1.4690 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6714 -1.5227 -1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0485 -0.6965 0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8268 0.2621 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2018 1.1248 -1.1114 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2676 0.3250 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9376 1.2759 -0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2414 1.6832 1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3144 2.3754 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0030 1.8918 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6443 0.0060 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9603 -0.4415 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2872 -0.8450 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6082 0.9472 -1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4635 1.4499 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1774 0.4915 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4256 -2.2006 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0278 -2.0816 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8943 1.3822 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3328 1.2565 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8046 0.3837 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3126 0.4763 1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7025 -1.9856 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1962 -2.0819 -1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8098 -0.3941 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0102 1.3523 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4327 2.0221 -1.5247 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