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
3.4921 0.0888 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 -0.4748 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 0.2287 0.9103 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0133 0.1623 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.8920 1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3011 0.8357 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6851 0.0357 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7673 -0.6969 -0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4143 -0.6343 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2613 -0.4754 -0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7166 1.0979 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 -1.4749 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6987 1.5327 2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0206 1.4075 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7256 -0.0054 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 -1.3308 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 -1.1888 -1.0053 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