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
-7.9657 0.2656 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7378 0.9684 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1732 0.1268 1.7814 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8423 -1.2184 1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9311 -1.2654 0.1948 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6122 -0.9286 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9730 -1.0953 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6491 -0.7896 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8734 -0.2962 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4660 -0.1200 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 -0.4356 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4655 0.0069 -0.5298 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4948 -0.8989 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2223 -2.0587 0.0188 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8985 -0.5658 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2488 0.6967 -1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5801 0.9980 -1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5806 0.0769 -1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2303 -1.1820 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8883 -1.5047 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8840 0.4321 -1.2973 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7338 0.9617 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2941 1.1305 0.8028 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0978 1.2946 -0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9427 1.8011 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7556 1.0519 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3739 -0.4468 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7945 -0.2888 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9630 0.9307 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9348 1.9951 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0216 0.0680 2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3459 0.6326 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7803 -1.7360 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5451 -1.8619 2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5818 -1.4856 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1729 -0.9306 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8837 0.2655 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2451 -0.2982 2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4514 1.4116 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8355 1.9958 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0030 -1.9435 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6141 -2.5111 -0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4239 1.1264 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6072 1.9686 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9410 2.0364 -0.1864 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