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
8.3239 -0.0408 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 -0.2796 1.8905 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8855 0.2924 1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8415 -0.3890 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8646 -0.0017 -1.1605 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5067 -0.0779 -1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7843 0.4448 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4153 0.4221 -2.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7304 -0.1297 -1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 -0.6465 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7800 -0.6129 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6544 -0.1758 -1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 0.8534 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7841 1.8409 -0.1088 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8497 0.8083 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5702 1.8525 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9666 1.7996 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6497 0.7250 -0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9121 -0.3088 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5190 -0.2766 -1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0352 0.6297 -0.5446 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7842 0.0736 0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1863 -0.3860 1.4594 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2480 -0.0149 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8960 -0.5652 1.4252 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5989 -0.8896 0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1367 0.1019 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2848 0.8769 0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8622 -1.3709 2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0304 0.1898 2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9489 0.3504 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2021 1.3750 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8510 -0.2674 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7637 -1.4987 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3131 0.8779 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8776 0.8300 -3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 -1.0879 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -1.0396 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0686 2.7032 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5591 2.6025 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4090 -1.1832 -1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9451 -1.0902 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8229 0.3618 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9705 -0.6205 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4106 -0.9699 2.3025 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