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
-0.8696 -2.9287 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2473 -2.1411 -1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7456 -0.8574 -0.8881 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2411 0.1429 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9323 -0.0030 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4134 1.0627 1.3863 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6918 2.1998 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4908 2.4097 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9200 1.3374 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6851 -2.7188 -2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 -3.9658 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5832 -2.5034 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5369 -0.8915 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3263 0.9665 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0386 3.0413 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0104 3.3556 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8593 1.4937 -0.5981 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