sodium;alumane;acetate

C2H6AlNaO2 — CID 173418045

IUPACsodium;alumane;acetate
SMILESCC(=O)[O-].[AlH3].[Na+]
InChIInChI=1S/C2H4O2.Al.Na.3H/c1-2(3)4;;;;;/h1H3,(H,3,4);;;;;/q;;+1;;;/p-1
InChIKeyPAZYTPJISDTRJF-UHFFFAOYSA-M
MW112.04 g/mol
LogP-5.42
Rot. Bonds

About sodium;alumane;acetate

sodium;alumane;acetate (PubChem CID 173418045) has the molecular formula C2H6AlNaO2 and a molecular weight of 112.04 g/mol. Its IUPAC name is sodium;alumane;acetate.

Molecular Properties

Compound Namesodium;alumane;acetate
PubChem CID173418045
Molecular FormulaC2H6AlNaO2
Molecular Weight112.04 g/mol
Exact Mass112.01
IUPAC Namesodium;alumane;acetate
SMILESCC(=O)[O-].[AlH3].[Na+]
InChIInChI=1S/C2H4O2.Al.Na.3H/c1-2(3)4;;;;;/h1H3,(H,3,4);;;;;/q;;+1;;;/p-1
InChIKeyPAZYTPJISDTRJF-UHFFFAOYSA-M
XLogP-5.42
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.04
LogP ≤ 5-5.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

nonasodium;nonaacetate
CID 173443222
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892
potassium;sodium;diacetate
CID 21470705
trisodium;acetate;carbonate
CID 169079974
disodium;sulfanide;acetate
CID 173135140
tetrasodium;tetraacetate;hydrate
CID 141360802
pentasodium;ethene;pentaacetate
CID 172708449
disodium;acetic acid;diacetate
CID 173429672
disodium;acetate;chloride;trihydrate
CID 160847584
tetrasodium;acetic acid;tetraacetate
CID 175423347

Frequently Asked Questions

What is the IUPAC name of sodium;alumane;acetate?
The IUPAC name of sodium;alumane;acetate (CID 173418045) is sodium;alumane;acetate.
What is the SMILES notation for sodium;alumane;acetate?
The canonical SMILES for sodium;alumane;acetate is CC(=O)[O-].[AlH3].[Na+].
What is the InChIKey of sodium;alumane;acetate?
The InChIKey is PAZYTPJISDTRJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.Al.Na.3H/c1-2(3)4;;;;;/h1H3,(H,3,4);;;;;/q;;+1;;;/p-1.
What are the key properties of sodium;alumane;acetate?
sodium;alumane;acetate has a molecular weight of 112.04 g/mol, XLogP of -5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;alumane;acetate is sourced from PubChem (CID 173418045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).