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
3.4168 -0.1811 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2663 -0.5961 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3718 0.2630 -0.7647 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 0.2365 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8648 1.0974 -1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2037 1.0503 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6638 0.1569 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7706 -0.6966 0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4184 -0.6585 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6435 0.8901 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1024 -0.8558 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0476 -1.6509 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 1.8065 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9074 1.7026 -1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7237 0.1395 0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1023 -1.4007 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3094 -1.3031 0.9719 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