alumane;3-hydroperoxydioxiran-3-ol

CH5AlO5 — CID 175238595

IUPACalumane;3-hydroperoxydioxiran-3-ol
SMILESOOC1(O)OO1.[AlH3]
InChIInChI=1S/CH2O5.Al.3H/c2-1(4-3)5-6-1;;;;/h2-3H;;;;
InChIKeyPVZFBYNIBZKUCU-UHFFFAOYSA-N
MW124.03 g/mol
LogP-2.14
Rot. Bonds1

About alumane;3-hydroperoxydioxiran-3-ol

alumane;3-hydroperoxydioxiran-3-ol (PubChem CID 175238595) has the molecular formula CH5AlO5 and a molecular weight of 124.03 g/mol. Its IUPAC name is alumane;3-hydroperoxydioxiran-3-ol.

Molecular Properties

Compound Namealumane;3-hydroperoxydioxiran-3-ol
PubChem CID175238595
Molecular FormulaCH5AlO5
Molecular Weight124.03 g/mol
Exact Mass124.00
IUPAC Namealumane;3-hydroperoxydioxiran-3-ol
SMILESOOC1(O)OO1.[AlH3]
InChIInChI=1S/CH2O5.Al.3H/c2-1(4-3)5-6-1;;;;/h2-3H;;;;
InChIKeyPVZFBYNIBZKUCU-UHFFFAOYSA-N
XLogP-2.14
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.03
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of alumane;3-hydroperoxydioxiran-3-ol?
The IUPAC name of alumane;3-hydroperoxydioxiran-3-ol (CID 175238595) is alumane;3-hydroperoxydioxiran-3-ol.
What is the SMILES notation for alumane;3-hydroperoxydioxiran-3-ol?
The canonical SMILES for alumane;3-hydroperoxydioxiran-3-ol is OOC1(O)OO1.[AlH3].
What is the InChIKey of alumane;3-hydroperoxydioxiran-3-ol?
The InChIKey is PVZFBYNIBZKUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O5.Al.3H/c2-1(4-3)5-6-1;;;;/h2-3H;;;;.
What are the key properties of alumane;3-hydroperoxydioxiran-3-ol?
alumane;3-hydroperoxydioxiran-3-ol has a molecular weight of 124.03 g/mol, XLogP of -2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;3-hydroperoxydioxiran-3-ol is sourced from PubChem (CID 175238595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).