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
-7.9989 -0.4120 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7713 -0.7633 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2399 0.5428 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8835 1.4955 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9182 1.0787 0.8295 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5960 0.8279 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9293 0.9754 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5703 0.6929 -0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8496 0.2429 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4844 0.0822 1.5409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8163 0.3652 1.6773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4929 -0.0639 0.2645 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5125 0.8158 0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2092 2.0013 0.7963 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 0.4559 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3322 -0.8243 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6849 -1.1330 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6721 -0.2025 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2580 1.0746 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9111 1.3860 0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0188 -0.5509 0.2479 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6751 -0.4167 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0458 0.0104 -1.9668 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0921 -0.7651 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8061 -1.2171 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6514 -1.3089 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4695 0.4634 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7222 -0.2344 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9850 -1.2302 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0069 -1.4123 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3855 0.2983 -1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0476 0.9906 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8228 1.8544 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5619 2.4519 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4550 1.3471 -1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0868 0.8226 -1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9197 -0.2751 2.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3471 0.2491 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 -1.5604 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9977 -2.1410 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0164 1.8318 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5677 2.3925 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5619 -0.6469 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3364 -1.3353 0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8429 -1.4608 -0.2479 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