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
-7.4077 1.0909 -1.6668 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5239 0.2448 -2.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6374 -0.4330 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7821 -1.2471 -1.6026 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7164 -0.2001 0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9696 -0.7380 1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5065 -0.4824 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8148 -0.9567 0.0508 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4469 -0.8042 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6817 -0.1534 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6823 0.0095 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3157 -0.4763 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -1.1186 -1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -1.2789 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7593 -0.2797 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3553 -0.7194 -1.5702 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5131 0.3613 0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8861 0.5608 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8019 -0.3358 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1611 -0.1119 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6080 1.0436 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7208 1.9775 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3788 1.7122 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4750 1.2789 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0662 1.5971 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4770 0.0739 -3.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3951 -0.3095 2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1447 -1.8491 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0710 -1.0336 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2700 0.5897 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1909 0.2235 1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2059 0.5258 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0676 -1.4975 -2.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4006 -1.7890 -1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4589 -1.2433 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8974 -0.8215 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6578 1.2790 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0857 2.8956 -0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6370 2.4150 -0.6733 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