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
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
-3.2803 -0.0312 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3429 0.1805 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2550 1.0082 0.7629 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0293 0.5297 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2468 -0.8272 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5205 -1.3594 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5749 -0.5016 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3550 0.8711 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 1.3978 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1203 -0.6650 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1837 0.4760 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4402 -0.3262 1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 -1.4898 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7059 -2.4244 0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5643 -0.8890 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1595 1.5781 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9625 2.4725 0.3616 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