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
3.4274 0.3349 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3310 0.5791 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4254 -0.4054 -0.5392 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0618 -0.3126 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 0.8224 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8935 0.9041 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7151 -0.1619 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1302 -1.2959 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7595 -1.3787 -0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6113 -0.6569 0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1234 1.1292 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 1.5686 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1097 1.6526 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3512 1.7950 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7883 -0.1431 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7565 -2.1466 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 -2.2846 -1.0325 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