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
3.3963 -0.8733 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2593 -0.6990 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4209 0.3226 0.3502 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 0.3364 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5548 -0.6863 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 -0.6082 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6672 0.4611 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0357 1.4820 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6634 1.4101 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0651 -1.6706 0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6436 -0.2052 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0104 -1.3559 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 -1.5415 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4492 -1.3875 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7161 0.4916 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6250 2.3046 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2159 2.2190 1.0870 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