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
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
-3.0076 -0.8003 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4591 -0.1634 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 0.7428 -0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1354 0.4734 -0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7384 1.5233 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0879 1.3541 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6063 0.0739 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7605 -0.9937 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4029 -0.7920 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6831 -0.6183 1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7957 -1.5186 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7955 -0.3580 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3588 2.5412 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7538 2.1937 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6716 -0.0290 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 -1.9819 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2381 -1.6472 -0.5329 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