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
3.3246 0.3784 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 0.2635 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 -0.7836 0.6873 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0445 -0.4753 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8975 -1.4720 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2121 -1.2342 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6027 0.0818 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6805 1.1041 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 0.8148 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9867 1.2092 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5017 -0.3584 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0668 0.9844 1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5805 -2.4937 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9372 -2.0590 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6342 0.2833 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9780 2.1289 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3382 1.6277 0.1860 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