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
-8.4246 0.7634 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1314 1.4573 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9216 0.7257 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8548 -0.6619 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7796 -1.3774 -0.2169 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4682 -1.1340 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5579 -2.0030 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2005 -1.8511 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 -0.8406 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5520 0.0208 0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9298 -0.1414 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 -0.7415 0.4672 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 0.0234 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7988 0.6036 -1.3348 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8785 0.1589 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5557 0.9228 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9285 1.0395 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6537 0.4075 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9611 -0.3632 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5901 -0.4765 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0519 0.5435 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8422 -0.3802 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3148 -1.2992 -1.4214 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2871 -0.2893 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8562 0.6606 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4239 0.4345 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2467 1.4921 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6179 -0.1206 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1709 2.4828 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0231 1.5412 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1329 0.6636 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0500 1.3586 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8590 -0.6865 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8080 -1.1822 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9466 -2.8061 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5553 -2.5655 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1553 0.8169 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5732 0.5572 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0560 1.4590 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4885 1.6385 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5121 -0.8708 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0807 -1.1016 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8994 -0.9951 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2490 1.3704 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9238 0.7458 0.0424 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