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
6.8878 2.1023 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1541 1.0283 1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5777 0.2956 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7739 0.6794 -0.9497 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 -0.8352 0.3961 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2578 -1.5158 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4576 -2.7008 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3787 -2.5301 0.4579 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 -1.8609 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2281 -1.7876 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9583 -1.1315 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2534 -0.5061 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -0.5838 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9287 -1.2478 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5202 0.1877 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 0.7622 -1.4342 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 0.2291 0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6832 0.8843 0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7493 0.1615 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9690 0.7805 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0797 2.1188 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0028 2.8494 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7834 2.2319 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0671 2.4467 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3399 2.6847 1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0137 0.7383 2.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1265 -1.8658 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7769 -0.7407 -1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1089 -3.2191 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1479 -3.4832 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4278 -2.2619 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7169 -1.0753 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4710 -0.1110 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6412 -1.2823 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6395 -0.8748 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7813 0.1924 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0600 2.5606 0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1629 3.9017 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9256 2.7782 1.2537 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