CID 166041879

C8H6W3-2 — CID 166041879

IUPAC—
SMILES[H]/[C-]=C/c1[c-]cccc1.[W].[W]=[W]
InChIInChI=1S/C8H6.3W/c1-2-8-6-4-3-5-7-8;;;/h1-6H;;;/q-2;;;
InChIKeyUTEWQOQZLUARDH-UHFFFAOYSA-N
MW653.66 g/mol
LogP1.93
Rot. Bonds1

About CID 166041879

CID 166041879 (PubChem CID 166041879) has the molecular formula C8H6W3-2 and a molecular weight of 653.66 g/mol.

Molecular Properties

Compound NameCID 166041879
PubChem CID166041879
Molecular FormulaC8H6W3-2
Molecular Weight653.66 g/mol
Exact Mass653.90
IUPAC Name—
SMILES[H]/[C-]=C/c1[c-]cccc1.[W].[W]=[W]
InChIInChI=1S/C8H6.3W/c1-2-8-6-4-3-5-7-8;;;/h1-6H;;;/q-2;;;
InChIKeyUTEWQOQZLUARDH-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.66
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 166041879?
The IUPAC name of CID 166041879 (CID 166041879) is not available.
What is the SMILES notation for CID 166041879?
The canonical SMILES for CID 166041879 is [H]/[C-]=C/c1[c-]cccc1.[W].[W]=[W].
What is the InChIKey of CID 166041879?
The InChIKey is UTEWQOQZLUARDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.3W/c1-2-8-6-4-3-5-7-8;;;/h1-6H;;;/q-2;;;.
What are the key properties of CID 166041879?
CID 166041879 has a molecular weight of 653.66 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166041879 is sourced from PubChem (CID 166041879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).