Monomers
4-[2-(Acryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester
Identifiers
IUPAC name
(4-methoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C19H18O6/c1-3-18(20)24-13-12-23-16-6-4-14(5-7-16)19(21)25-17-10-8-15(22-2)9-11-17/h3-11H,1,12-13H2,2H3
InchI Key
FJYJQYRUKLDXEE-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Canonical SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C19H18O6
Heavy Atom Count
25
Molecular Weight
342.347
Exact Molecular Weight
342.1103
Valence Electrons
130
Radical Electrons
0
tPSA
71.06
MolLogP
3.0224
H Bond Acceptors
6
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
43 44 0 0 0 0 0 0 0 0999 V2000
-8.0431 1.3358 -1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3529 0.3827 -1.8912 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5656 -0.5759 -1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9086 -1.4838 -1.6584 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5449 -0.4849 0.2795 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8209 -1.3566 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3404 -1.3275 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8080 -0.0357 1.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4554 0.1595 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6715 -0.8911 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3260 -0.6533 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2754 0.5712 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5443 1.6149 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8935 1.4167 1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7027 0.7569 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2835 1.8557 0.4288 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4884 -0.3114 -0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8467 -0.1375 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4203 0.2217 -1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7994 0.3769 -1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6245 0.1755 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0662 -0.1841 0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6882 -0.3373 0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9932 0.3450 -0.7537 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9386 0.1669 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0254 1.4064 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6101 2.0236 -1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3381 0.2722 -2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0060 -1.1156 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1665 -2.4010 0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1115 -1.5825 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8691 -2.0611 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0277 -1.8934 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3174 -1.4716 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0979 2.5913 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5625 2.1992 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7761 0.3829 -2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2063 0.6599 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7330 -0.3392 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2834 -0.6206 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2187 -0.9027 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5580 0.5589 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8699 0.6927 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
12 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
21 24 1 0
24 25 1 0
14 9 1 0
23 18 1 0
1 26 1 0
1 27 1 0
2 28 1 0
6 29 1 0
6 30 1 0
7 31 1 0
7 32 1 0
10 33 1 0
11 34 1 0
13 35 1 0
14 36 1 0
19 37 1 0
20 38 1 0
22 39 1 0
23 40 1 0
25 41 1 0
25 42 1 0
25 43 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers