alumane;2,2-dihydroxyethaneperoxoic acid

C2H7AlO5 — CID 175278536

IUPACalumane;2,2-dihydroxyethaneperoxoic acid
SMILESO=C(OO)C(O)O.[AlH3]
InChIInChI=1S/C2H4O5.Al.3H/c3-1(4)2(5)7-6;;;;/h1,3-4,6H;;;;
InChIKeyFAPRGDLAULQISJ-UHFFFAOYSA-N
MW138.05 g/mol
LogP-2.87
Rot. Bonds1

About alumane;2,2-dihydroxyethaneperoxoic acid

alumane;2,2-dihydroxyethaneperoxoic acid (PubChem CID 175278536) has the molecular formula C2H7AlO5 and a molecular weight of 138.05 g/mol. Its IUPAC name is alumane;2,2-dihydroxyethaneperoxoic acid.

Molecular Properties

Compound Namealumane;2,2-dihydroxyethaneperoxoic acid
PubChem CID175278536
Molecular FormulaC2H7AlO5
Molecular Weight138.05 g/mol
Exact Mass138.01
IUPAC Namealumane;2,2-dihydroxyethaneperoxoic acid
SMILESO=C(OO)C(O)O.[AlH3]
InChIInChI=1S/C2H4O5.Al.3H/c3-1(4)2(5)7-6;;;;/h1,3-4,6H;;;;
InChIKeyFAPRGDLAULQISJ-UHFFFAOYSA-N
XLogP-2.87
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.05
LogP ≤ 5-2.87
H-Bond Donors ≤ 53
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'}

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Related Compounds

alumane;amino 2,2-dihydroxyacetate
CID 173002516
(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
CID 87892301
2,4-dihydroxybutaneperoxoic acid
CID 175057595
ethenyl 2,2-dihydroxyacetate
CID 172859398
phosphono 2,2-dihydroxyacetate
CID 18352457
2-cyclopentyl-2-hydroxyethaneperoxoic acid
CID 90238839
(2R)-2-amino-3-sulfanylpropaneperoxoic acid
CID 91512911
CID 158889848
CID 158889848
magnesium 3-carbonoperoxoylpentanedioate
CID 175980347
dicalcium;hydride;4-hydroperoxy-4-oxobutane-1,2,3-tricarboxylic acid
CID 173452418
2-ethylpentaneperoxoic acid
CID 178072085
ethanol;2-hydroxypropyl acetate
CID 88717262

Frequently Asked Questions

What is the IUPAC name of alumane;2,2-dihydroxyethaneperoxoic acid?
The IUPAC name of alumane;2,2-dihydroxyethaneperoxoic acid (CID 175278536) is alumane;2,2-dihydroxyethaneperoxoic acid.
What is the SMILES notation for alumane;2,2-dihydroxyethaneperoxoic acid?
The canonical SMILES for alumane;2,2-dihydroxyethaneperoxoic acid is O=C(OO)C(O)O.[AlH3].
What is the InChIKey of alumane;2,2-dihydroxyethaneperoxoic acid?
The InChIKey is FAPRGDLAULQISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5.Al.3H/c3-1(4)2(5)7-6;;;;/h1,3-4,6H;;;;.
What are the key properties of alumane;2,2-dihydroxyethaneperoxoic acid?
alumane;2,2-dihydroxyethaneperoxoic acid has a molecular weight of 138.05 g/mol, XLogP of -2.87, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,2-dihydroxyethaneperoxoic acid is sourced from PubChem (CID 175278536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).