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
-7.3587 -1.1824 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5415 -0.0425 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0552 1.2533 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6135 1.1716 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7672 0.9268 1.1182 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3821 0.8330 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4960 0.5960 1.8871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 0.5044 1.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6326 0.6464 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5245 0.8820 -0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8922 0.9764 -0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 0.5537 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3989 -0.6002 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7341 -1.6764 -0.2542 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 -0.6038 -0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5076 0.6084 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8857 0.6593 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5601 -0.4910 -0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8898 -1.6935 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5293 -1.7542 -0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9378 -0.4013 -1.0723 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7691 -0.5622 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2857 -0.7759 1.1916 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2165 -0.4828 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7872 -0.2575 -1.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2917 -1.3308 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8985 -0.9316 -0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7939 -2.1071 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6132 0.0081 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9056 -0.2919 1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6423 1.4045 -0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2045 2.0984 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4325 0.4138 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3176 2.1630 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8895 0.4841 2.8915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5007 0.3159 2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2125 1.0054 -1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5923 1.1653 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9685 1.5143 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3575 1.6187 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4536 -2.5704 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9956 -2.6900 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8319 -0.6103 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8592 -0.2099 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1469 -0.1377 -2.1135 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