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
-6.9984 1.8280 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5929 0.3879 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3455 -0.2121 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9382 -1.6499 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7992 -1.7667 0.9716 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5539 -1.3526 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5560 -1.5647 1.6361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2725 -1.1809 1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8478 -0.5773 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8136 -0.3679 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1470 -0.7516 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4482 -0.1743 -0.0212 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 -0.9953 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 -2.1431 -0.9442 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7259 -0.4565 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6884 -1.2359 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9515 -0.7104 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2979 0.5737 -1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3300 1.3474 -0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0656 0.8272 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5959 1.0517 -1.5476 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5469 0.8605 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2163 0.2745 0.5089 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9326 1.3294 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8470 1.1618 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2955 2.2558 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9697 2.4041 2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0504 1.8369 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3787 -0.1593 1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6720 0.3580 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6520 0.4316 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3385 -0.2597 -0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7905 -2.1838 0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8411 -2.0669 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8611 -2.0410 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5356 -1.3599 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5854 0.0978 -1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8734 -0.5963 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4319 -2.2541 -1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7074 -1.3209 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5552 2.3604 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2911 1.4380 -0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1864 1.8274 -1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6163 0.6656 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8426 1.5133 0.0450 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