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
-7.6875 0.5683 1.9312 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5294 -0.3760 1.9358 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2867 -0.9934 0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9932 0.0322 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8902 0.8421 -0.2669 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5718 0.5249 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9939 -0.7137 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6220 -0.9394 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7788 0.1229 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3219 1.3836 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 1.5864 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 -0.1304 0.1495 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3487 -0.0815 -1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7702 0.1963 -2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7564 -0.3424 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5468 -0.3020 -2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8938 -0.5518 -1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5135 -0.8533 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7038 -0.8900 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 -0.6391 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8659 -1.1121 -0.6029 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6977 -0.0262 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2177 1.1298 -0.2489 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1307 -0.1980 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9038 0.8412 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3059 0.3924 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3740 1.6406 1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3509 0.4119 2.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7532 -1.1902 2.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6319 0.1601 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5969 -1.8361 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2782 -1.4639 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7852 -0.5505 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9093 0.6178 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6249 -1.5481 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2085 -1.9340 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 2.1896 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 2.5972 0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1170 -0.0739 -2.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5468 -0.5260 -2.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1459 -1.1217 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7064 -0.6685 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5722 -1.1801 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5004 1.8368 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9721 0.7269 0.1732 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