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
-6.3369 -1.9179 3.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7844 -1.1301 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5627 0.1190 1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1250 0.9322 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9023 1.4026 0.6813 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6116 1.1980 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0300 -0.0434 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6718 -0.1748 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 0.9098 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4181 2.1450 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7547 2.3281 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5271 0.7781 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1524 0.8134 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4737 0.9693 -2.0582 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6061 0.6752 -1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3516 0.5048 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7236 0.3735 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3737 0.4053 -1.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5851 0.5794 -2.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2103 0.7142 -2.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7354 0.2782 -1.5371 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3778 -0.9365 -1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6433 -1.9609 -1.7373 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8117 -1.0408 -1.9014 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3556 -2.2236 -2.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8351 -2.8513 2.9938 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5195 -2.2554 4.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0446 -1.3324 3.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7266 -0.8470 2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7066 -1.7686 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5620 0.7730 2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6517 -0.1601 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3657 0.2871 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9326 1.7534 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6634 -0.9500 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2849 -1.1928 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7603 3.0291 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2101 3.3175 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8575 0.4759 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2958 0.2410 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0467 0.6129 -3.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5595 0.8516 -3.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4393 -0.1734 -1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7496 -3.1313 -2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4199 -2.3773 -2.2132 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