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
7.9135 -2.0489 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3121 -1.1820 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0251 -0.6151 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4936 -0.9584 -1.6338 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3425 0.2935 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 0.8392 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5839 1.8044 0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3639 2.3978 0.6277 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1625 1.7267 0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0125 0.3780 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2512 -0.1800 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3808 0.5233 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2109 1.8714 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0140 2.4692 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6666 -0.1497 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7284 -1.3841 0.5411 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8529 0.4717 0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0793 -0.1727 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9454 -0.3246 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1606 -0.9780 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5269 -1.5001 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6754 -1.3595 -1.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4515 -0.6945 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4344 -2.3249 -1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8631 -2.5058 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7679 -0.8765 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4100 0.0505 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2695 1.4655 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5661 1.2234 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4037 2.5735 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8572 -0.2399 1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3228 -1.2547 0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0891 2.4946 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 3.5402 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6095 0.1023 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8013 -1.0693 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4786 -2.0137 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9872 -1.7760 -2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8308 -0.6169 -2.1631 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