oxidane

H390O195 — CID 173081003

IUPACoxidane
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/195H2O/h195*1H2
InChIKeyTVEQJYAKAFEWCD-UHFFFAOYSA-N
MW3512.92 g/mol
LogP-160.82
Rot. Bonds

About oxidane

oxidane (PubChem CID 173081003) has the molecular formula H390O195 and a molecular weight of 3512.92 g/mol. Its IUPAC name is oxidane.

Molecular Properties

Compound Nameoxidane
PubChem CID173081003
Molecular FormulaH390O195
Molecular Weight3512.92 g/mol
Exact Mass3512.06
IUPAC Nameoxidane
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/195H2O/h195*1H2
InChIKeyTVEQJYAKAFEWCD-UHFFFAOYSA-N
XLogP-160.82
TPSA6142.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms195
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5003512.92
LogP ≤ 5-160.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze oxidane with MolForge

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

Launch Full Analysis

Related Compounds

oxidane
CID 657017
alumane;hydrate
CID 173359085
zirconium;hydrate
CID 57436787
thorium;nonahydrate
CID 172843370
vanadium;tetrahydrate
CID 6102325
CID 162116201
CID 162116201
iron;dodecahydrate
CID 173337995
iron;hydrate
CID 173302268
CID 173015198
CID 173015198
zinc;icosahydrate
CID 173373032
CID 159446360
CID 159446360
chromium(6+);hydrate
CID 172788829

Frequently Asked Questions

What is the IUPAC name of oxidane?
The IUPAC name of oxidane (CID 173081003) is oxidane.
What is the SMILES notation for oxidane?
The canonical SMILES for oxidane is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.
What is the InChIKey of oxidane?
The InChIKey is TVEQJYAKAFEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/195H2O/h195*1H2.
What are the key properties of oxidane?
oxidane has a molecular weight of 3512.92 g/mol, XLogP of -160.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oxidane is sourced from PubChem (CID 173081003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).