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
-7.9615 -0.0823 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9483 -0.0779 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7359 -1.4904 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7145 -1.5753 -1.7264 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5694 -1.1402 -1.4223 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3657 -0.7217 -1.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9018 -0.1928 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6208 0.2356 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7007 0.1837 -0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1435 -0.3320 -2.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4044 -0.7680 -2.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5975 0.6220 -0.6739 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6073 -0.2857 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3005 -1.4865 -0.2397 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9959 0.1213 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9358 -0.8392 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2808 -0.5041 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7021 0.8055 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7278 1.7410 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4028 1.4293 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0248 1.1406 0.4155 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5884 1.1463 1.6782 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8041 0.8128 2.6308 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9772 1.5039 1.9257 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5663 1.5057 3.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6496 0.7662 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5446 -1.0420 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4087 -0.1067 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0210 0.3462 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4025 0.5307 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6541 -1.9680 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3279 -2.0743 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7111 -2.6669 -2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1968 -1.0833 -2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6487 -0.1602 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2893 0.6377 1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 -0.3720 -2.8609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 -1.1791 -3.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6506 -1.8989 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0282 -1.2455 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0825 2.7696 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 2.1970 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5584 1.7917 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5865 1.7842 3.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0119 1.2221 3.9649 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