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
7.6189 1.2452 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6834 0.4092 -0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4642 0.0521 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5686 -0.7491 1.0777 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2251 0.5310 -0.2001 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0181 0.2058 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7063 -1.2483 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5271 -1.5368 1.0816 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2456 -1.1953 0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3092 -1.6778 1.8025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0301 -1.4032 1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5050 -0.6369 0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6265 -0.1372 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7116 -0.4385 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9329 -0.3627 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6852 -0.8388 1.4673 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5082 0.3940 -0.4093 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8867 0.6430 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7074 -0.2264 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0697 0.0021 -1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6350 1.0965 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8005 1.9744 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4431 1.7391 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6600 1.6477 -1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5054 1.5354 -2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6545 0.0088 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0819 0.5037 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2292 0.8157 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5500 -1.8831 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5722 -1.6021 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6844 -2.2808 2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7158 -1.8059 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0352 0.4572 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3678 -0.0510 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2748 -1.0852 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7480 -0.6575 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6989 1.2762 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2405 2.8327 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8400 2.4466 0.7103 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