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
-8.6452 0.0180 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4344 0.4399 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1819 0.5096 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8346 -0.7987 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7134 -0.7464 -1.0283 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3904 -0.5008 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8408 -0.2473 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4765 -0.0058 0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6476 -0.0135 -0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2106 -0.2700 -1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5482 -0.5092 -1.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 0.2354 -0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5990 -0.7635 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1738 -1.9446 -0.0314 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0222 -0.4574 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4671 0.8361 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7931 1.1357 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7216 0.1223 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2526 -1.1728 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9283 -1.4774 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0521 0.4684 0.6764 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9686 0.5382 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5596 0.2726 -1.5147 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3630 0.9039 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8453 1.1922 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5109 0.6333 0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9422 -1.0443 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5440 0.1463 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5958 1.4747 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2644 -0.2022 2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3862 0.8702 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3214 1.3127 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7104 -1.1889 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7286 -1.6008 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4695 -0.2548 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0751 0.1944 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5457 -0.2783 -2.6533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9311 -0.7056 -2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7645 1.6244 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1621 2.1589 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9697 -1.9548 0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 -2.4941 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0050 0.9292 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8693 1.4538 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2003 1.1609 1.8918 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