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
3.2525 0.4427 -0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4325 0.2866 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4292 -0.6277 0.1429 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0806 -0.3743 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7698 -1.4705 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1371 -1.3111 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6663 -0.0355 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8629 1.0823 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4955 0.8604 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1364 -0.1536 -1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0443 1.1620 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5676 0.8978 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3554 -2.4847 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8110 -2.1598 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7431 0.0728 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2627 2.0925 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1606 1.7201 0.2372 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