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
-7.6717 -0.5381 2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2270 -1.3925 1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6443 -0.9172 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2166 -1.7260 -0.9686 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5442 0.4350 -0.3881 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9958 0.9062 -1.5729 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5574 0.5166 -1.8008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7313 1.0242 -0.7436 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3773 0.8127 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7588 0.0947 -1.6984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 -0.1313 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3409 0.3844 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2445 1.1128 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6310 1.3197 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7812 0.1604 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3633 -0.4947 -1.4958 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5728 0.6628 0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9633 0.4374 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8313 1.3306 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1891 1.0884 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7321 -0.0162 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8508 -0.8934 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5003 -0.6619 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0966 -0.2594 0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5790 -1.4139 1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6088 0.5203 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1028 -0.8557 2.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3014 -2.4441 1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1071 2.0080 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5555 0.5468 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1665 0.9057 -2.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3995 -0.5750 -1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2933 -0.3278 -2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1378 -0.6883 -2.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3447 1.5109 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0976 1.8877 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4059 2.2103 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8337 1.8085 -0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2953 -1.7598 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8365 -1.3598 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6624 -1.5122 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1903 -1.3935 2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1055 -2.3230 0.7644 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