sodium;alumane;hydride;propan-2-one

C3H10AlNaO — CID 175242051

IUPACsodium;alumane;hydride;propan-2-one
SMILESCC(C)=O.[AlH3].[H-].[Na+]
InChIInChI=1S/C3H6O.Al.Na.4H/c1-3(2)4;;;;;;/h1-2H3;;;;;;/q;;+1;;;;-1
InChIKeyBLBCZCVCUGRNEL-UHFFFAOYSA-N
MW112.08 g/mol
LogP-3.47
Rot. Bonds

About sodium;alumane;hydride;propan-2-one

sodium;alumane;hydride;propan-2-one (PubChem CID 175242051) has the molecular formula C3H10AlNaO and a molecular weight of 112.08 g/mol. Its IUPAC name is sodium;alumane;hydride;propan-2-one.

Molecular Properties

Compound Namesodium;alumane;hydride;propan-2-one
PubChem CID175242051
Molecular FormulaC3H10AlNaO
Molecular Weight112.08 g/mol
Exact Mass112.04
IUPAC Namesodium;alumane;hydride;propan-2-one
SMILESCC(C)=O.[AlH3].[H-].[Na+]
InChIInChI=1S/C3H6O.Al.Na.4H/c1-3(2)4;;;;;;/h1-2H3;;;;;;/q;;+1;;;;-1
InChIKeyBLBCZCVCUGRNEL-UHFFFAOYSA-N
XLogP-3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 5-3.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;alumane;hydride;propan-2-one?
The IUPAC name of sodium;alumane;hydride;propan-2-one (CID 175242051) is sodium;alumane;hydride;propan-2-one.
What is the SMILES notation for sodium;alumane;hydride;propan-2-one?
The canonical SMILES for sodium;alumane;hydride;propan-2-one is CC(C)=O.[AlH3].[H-].[Na+].
What is the InChIKey of sodium;alumane;hydride;propan-2-one?
The InChIKey is BLBCZCVCUGRNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.Al.Na.4H/c1-3(2)4;;;;;;/h1-2H3;;;;;;/q;;+1;;;;-1.
What are the key properties of sodium;alumane;hydride;propan-2-one?
sodium;alumane;hydride;propan-2-one has a molecular weight of 112.08 g/mol, XLogP of -3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;alumane;hydride;propan-2-one is sourced from PubChem (CID 175242051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).