CID 161469049

C4H22O8UV — CID 161469049

IUPAC—
SMILESC.C.C.C.O.O=O.OO.OOO.[U].[V]
InChIInChI=1S/4CH4.H2O3.H2O2.O2.H2O.U.V/c;;;;1-3-2;2*1-2;;;/h4*1H4;1-2H;1-2H;;1H2;;
InChIKeyHZPXCSRHWGSCFT-UHFFFAOYSA-N
MW487.19 g/mol
LogP1.75
Rot. Bonds

About CID 161469049

CID 161469049 (PubChem CID 161469049) has the molecular formula C4H22O8UV and a molecular weight of 487.19 g/mol.

Molecular Properties

Compound NameCID 161469049
PubChem CID161469049
Molecular FormulaC4H22O8UV
Molecular Weight487.19 g/mol
Exact Mass487.13
IUPAC Name—
SMILESC.C.C.C.O.O=O.OO.OOO.[U].[V]
InChIInChI=1S/4CH4.H2O3.H2O2.O2.H2O.U.V/c;;;;1-3-2;2*1-2;;;/h4*1H4;1-2H;1-2H;;1H2;;
InChIKeyHZPXCSRHWGSCFT-UHFFFAOYSA-N
XLogP1.75
TPSA155.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.19
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 161469049 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 161469049?
The IUPAC name of CID 161469049 (CID 161469049) is not available.
What is the SMILES notation for CID 161469049?
The canonical SMILES for CID 161469049 is C.C.C.C.O.O=O.OO.OOO.[U].[V].
What is the InChIKey of CID 161469049?
The InChIKey is HZPXCSRHWGSCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH4.H2O3.H2O2.O2.H2O.U.V/c;;;;1-3-2;2*1-2;;;/h4*1H4;1-2H;1-2H;;1H2;;.
What are the key properties of CID 161469049?
CID 161469049 has a molecular weight of 487.19 g/mol, XLogP of 1.75, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161469049 is sourced from PubChem (CID 161469049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).