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
8.0577 0.8913 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0880 1.4045 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3401 0.5133 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4189 0.9961 0.6207 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6380 -0.8117 0.0681 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9999 -1.7001 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5712 -2.0148 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7626 -0.9022 0.7879 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4044 -0.8360 0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7911 0.3896 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4085 0.5486 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3757 -0.5482 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2447 -1.7596 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6118 -1.9252 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8218 -0.4235 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 -1.4479 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4772 0.7691 0.4327 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8619 0.8336 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4235 1.0793 -0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8031 1.1475 -1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6580 0.9740 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0964 0.7290 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7203 0.6602 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0347 1.0315 -0.1257 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7475 1.2703 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6386 1.4929 -2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3084 -0.1545 -1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8041 2.4300 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1280 -1.4326 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5608 -2.6888 0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2729 -2.7137 1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3697 -2.6305 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 1.2690 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 1.4967 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3533 -2.6225 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0951 -2.8709 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7658 1.2179 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2265 1.3416 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7319 0.5896 2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2690 0.4665 2.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2330 0.9993 -2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0783 2.3258 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6669 0.6155 -1.2579 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