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
3.3282 0.1062 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3168 0.4538 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1834 1.0601 0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0781 0.4914 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1931 -0.7439 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -1.3041 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5671 -0.6509 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4256 0.5941 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1617 1.1815 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2501 0.3148 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2180 -0.3723 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4016 0.2445 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6361 -1.3087 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5572 -2.2775 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5516 -1.0975 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 1.1514 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0852 2.1571 1.0623 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