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
-2.8816 0.5868 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3906 -0.5718 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3581 -1.1995 0.2879 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0764 -0.6417 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1659 0.4808 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4340 1.0590 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 0.4897 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2655 -0.6484 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9931 -1.2067 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6743 1.0149 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5091 1.1030 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 -1.0642 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6675 0.9355 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5688 1.9548 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5045 0.9076 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0937 -1.1015 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8138 -2.0985 1.4651 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