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
3.4770 0.2713 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 0.6074 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3828 -0.4006 0.7802 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0405 -0.3026 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4832 0.7616 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8211 0.8441 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6845 -0.1707 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1899 -1.2508 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8405 -1.2993 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1451 1.0680 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8311 -0.7434 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 1.6337 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1704 1.5480 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 1.6981 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7300 -0.0772 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8727 -2.0418 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4246 -2.1459 1.3622 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