alumane;hexanediperoxoic acid

C6H13AlO6 — CID 173462864

IUPACalumane;hexanediperoxoic acid
SMILESO=C(CCCCC(=O)OO)OO.[AlH3]
InChIInChI=1S/C6H10O6.Al.3H/c7-5(11-9)3-1-2-4-6(8)12-10;;;;/h9-10H,1-4H2;;;;
InChIKeyJYKRWBAABGCPDE-UHFFFAOYSA-N
MW208.15 g/mol
LogP-0.60
Rot. Bonds5

About alumane;hexanediperoxoic acid

alumane;hexanediperoxoic acid (PubChem CID 173462864) has the molecular formula C6H13AlO6 and a molecular weight of 208.15 g/mol. Its IUPAC name is alumane;hexanediperoxoic acid.

Molecular Properties

Compound Namealumane;hexanediperoxoic acid
PubChem CID173462864
Molecular FormulaC6H13AlO6
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Namealumane;hexanediperoxoic acid
SMILESO=C(CCCCC(=O)OO)OO.[AlH3]
InChIInChI=1S/C6H10O6.Al.3H/c7-5(11-9)3-1-2-4-6(8)12-10;;;;/h9-10H,1-4H2;;;;
InChIKeyJYKRWBAABGCPDE-UHFFFAOYSA-N
XLogP-0.60
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-hydroperoxy-9-oxononanoic acid
CID 54396666
16-hydroperoxy-16-oxohexadecanoic acid
CID 141025407
10-hydroperoxydecaneperoxoic acid
CID 173162318
12-aminododecaneperoxoic acid
CID 19931514
6-aminohexaneperoxoic acid
CID 22717715
6-iodohexaneperoxoic acid
CID 87969100
magnesium;alumane;hydride;octadecaneperoxoic acid
CID 173057605
magnesium;alumane;docosaneperoxoic acid;hydride
CID 173369321
4-aminobutaneperoxoic acid
CID 10887886
tetradecaneperoxoic acid;titanium
CID 87908201
butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
CID 175089027
butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796

Frequently Asked Questions

What is the IUPAC name of alumane;hexanediperoxoic acid?
The IUPAC name of alumane;hexanediperoxoic acid (CID 173462864) is alumane;hexanediperoxoic acid.
What is the SMILES notation for alumane;hexanediperoxoic acid?
The canonical SMILES for alumane;hexanediperoxoic acid is O=C(CCCCC(=O)OO)OO.[AlH3].
What is the InChIKey of alumane;hexanediperoxoic acid?
The InChIKey is JYKRWBAABGCPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6.Al.3H/c7-5(11-9)3-1-2-4-6(8)12-10;;;;/h9-10H,1-4H2;;;;.
What are the key properties of alumane;hexanediperoxoic acid?
alumane;hexanediperoxoic acid has a molecular weight of 208.15 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;hexanediperoxoic acid is sourced from PubChem (CID 173462864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).