alumane;tetratriacontahydrate

H71AlO34 — CID 173238548

IUPACalumane;tetratriacontahydrate
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.[AlH3]
InChIInChI=1S/Al.34H2O.3H/h;34*1H2;;;
InChIKeyLHEMNFKNFGJXJE-UHFFFAOYSA-N
MW642.52 g/mol
LogP-29.22
Rot. Bonds

About alumane;tetratriacontahydrate

alumane;tetratriacontahydrate (PubChem CID 173238548) has the molecular formula H71AlO34 and a molecular weight of 642.52 g/mol. Its IUPAC name is alumane;tetratriacontahydrate.

Molecular Properties

Compound Namealumane;tetratriacontahydrate
PubChem CID173238548
Molecular FormulaH71AlO34
Molecular Weight642.52 g/mol
Exact Mass642.36
IUPAC Namealumane;tetratriacontahydrate
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.[AlH3]
InChIInChI=1S/Al.34H2O.3H/h;34*1H2;;;
InChIKeyLHEMNFKNFGJXJE-UHFFFAOYSA-N
XLogP-29.22
TPSA1071.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.52
LogP ≤ 5-29.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 173081003
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CID 174367071
CID 174367071

Frequently Asked Questions

What is the IUPAC name of alumane;tetratriacontahydrate?
The IUPAC name of alumane;tetratriacontahydrate (CID 173238548) is alumane;tetratriacontahydrate.
What is the SMILES notation for alumane;tetratriacontahydrate?
The canonical SMILES for alumane;tetratriacontahydrate 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.[AlH3].
What is the InChIKey of alumane;tetratriacontahydrate?
The InChIKey is LHEMNFKNFGJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.34H2O.3H/h;34*1H2;;;.
What are the key properties of alumane;tetratriacontahydrate?
alumane;tetratriacontahydrate has a molecular weight of 642.52 g/mol, XLogP of -29.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tetratriacontahydrate is sourced from PubChem (CID 173238548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).