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
3.4101 0.5295 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 0.5010 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4254 -0.5797 -0.0532 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0514 -0.4351 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7521 -1.5464 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1431 -1.3973 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6848 -0.1393 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8605 0.9578 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4703 0.8315 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0667 1.3715 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7029 -0.2677 -1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0113 1.3169 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2745 -2.5082 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7353 -2.2896 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7783 -0.0132 -0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3329 1.9254 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0863 1.7430 0.0714 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