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
-8.5744 -0.7119 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1599 -0.2151 -0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0161 0.5400 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5741 0.9911 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7477 -0.1419 0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3586 -0.0321 0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7060 1.1750 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3371 1.2775 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5780 0.1392 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2067 -1.1076 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5810 -1.1674 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 0.1250 0.7624 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 0.1855 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8940 0.2509 -1.5122 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9805 0.1717 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6296 0.0997 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0114 0.0894 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7411 0.1488 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0572 0.2201 -1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6688 0.2332 -1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1199 0.1391 -0.3246 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8641 -1.0220 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2515 -2.1099 -0.4505 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3192 -0.9745 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9703 0.1668 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6965 -1.7748 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2303 -0.1102 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8582 -0.5936 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8584 0.4618 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4999 -1.0989 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6838 1.4204 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2384 -0.1626 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3395 1.6553 -0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3927 1.5397 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3046 2.0768 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8236 2.2279 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6294 -2.0323 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0709 -2.1350 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0371 0.0541 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5048 0.0321 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6028 0.2675 -2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1118 0.2887 -2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8916 -1.8867 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0467 0.1921 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4440 1.1072 -0.2813 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