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
3.1639 0.2788 -0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1835 0.5867 -1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1490 -0.2965 -1.5802 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.2486 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0401 -1.1495 -1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 -1.1124 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4243 -0.1798 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 0.7222 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2576 0.6682 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9594 0.9824 -0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1449 -0.6985 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1940 1.5554 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8727 -1.8692 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0150 -1.8073 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3767 -0.2116 1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.4259 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5271 1.3538 0.3778 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