Monomers
Phenyl vinyl ether
Identifiers
IUPAC name
ethenoxybenzene
InchI
InChI=1S/C8H8O/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
NHOGGUYTANYCGQ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1
Canonical SMILES
C=COC1=CC=CC=C1
Isomeric SMILES
C=COC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O
Heavy Atom Count
9
Molecular Weight
120.151
Exact Molecular Weight
120.0575
Valence Electrons
46
Radical Electrons
0
tPSA
9.23
MolLogP
2.2089
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
3.1164 0.0957 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 -0.4754 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2205 -1.1805 -0.0951 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0168 -0.5550 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1156 -1.2812 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3666 -0.6995 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5144 0.6075 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4002 1.3264 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1446 0.7497 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9893 0.6483 -0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9186 0.0330 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5337 -0.4098 1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0209 -2.3139 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2029 -1.3115 -0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4965 1.0608 -0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5398 2.3650 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7071 1.3403 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers