Monomers
Phenyl 4-[2-(acryloyloxy)ethoxy]benzoate
Identifiers
IUPAC name
phenyl 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C18H16O5/c1-2-17(19)22-13-12-21-15-10-8-14(9-11-15)18(20)23-16-6-4-3-5-7-16/h2-11H,1,12-13H2
InchI Key
CVTHXGRUEBRVQY-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C18H16O5
Heavy Atom Count
23
Molecular Weight
312.321
Exact Molecular Weight
312.0998
Valence Electrons
118
Radical Electrons
0
tPSA
61.83
MolLogP
3.0138
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
39 40 0 0 0 0 0 0 0 0999 V2000
-7.4208 1.4810 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2773 1.1377 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7113 -0.1913 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3183 -0.9870 0.3977 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5191 -0.5757 -0.9153 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9033 -1.8420 -0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5936 -2.0161 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7468 -1.0662 1.2587 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4504 -0.7240 1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -1.3452 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7201 -0.9553 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2300 0.1150 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3977 0.7609 1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8924 0.3699 1.7139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6032 0.5776 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0039 1.5622 1.1165 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4728 -0.0295 -0.4204 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7896 0.3944 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7606 -0.1619 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0610 0.2493 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3587 1.1885 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3870 1.7543 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0941 1.3343 -1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8715 2.4336 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9505 0.7857 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7593 1.8168 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6032 -2.6691 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9968 -1.8481 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5264 -2.0555 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1006 -3.0260 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9589 -2.2170 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3542 -1.4788 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 1.6229 2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5667 0.8752 2.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5482 -0.8939 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8602 -0.1584 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3706 1.5401 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6366 2.4925 -2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3191 1.7490 -2.1697 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
14 9 1 0
23 18 1 0
1 24 1 0
1 25 1 0
2 26 1 0
6 27 1 0
6 28 1 0
7 29 1 0
7 30 1 0
10 31 1 0
11 32 1 0
13 33 1 0
14 34 1 0
19 35 1 0
20 36 1 0
21 37 1 0
22 38 1 0
23 39 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers