sodium;diacetyloxyalumanyl acetate;hydride

C6H10AlNaO6 — CID 23708319

IUPACsodium;diacetyloxyalumanyl acetate;hydride
SMILESCC(=O)O[Al](OC(C)=O)OC(C)=O.[H-].[Na+]
InChIInChI=1S/3C2H4O2.Al.Na.H/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;;/q;;;+3;+1;-1/p-3
InChIKeyIANLSTQQTLEBHD-UHFFFAOYSA-K
MW228.11 g/mol
LogP-3.22
Rot. Bonds3

About sodium;diacetyloxyalumanyl acetate;hydride

sodium;diacetyloxyalumanyl acetate;hydride (PubChem CID 23708319) has the molecular formula C6H10AlNaO6 and a molecular weight of 228.11 g/mol. Its IUPAC name is sodium;diacetyloxyalumanyl acetate;hydride.

Molecular Properties

Compound Namesodium;diacetyloxyalumanyl acetate;hydride
PubChem CID23708319
Molecular FormulaC6H10AlNaO6
Molecular Weight228.11 g/mol
Exact Mass228.02
IUPAC Namesodium;diacetyloxyalumanyl acetate;hydride
SMILESCC(=O)O[Al](OC(C)=O)OC(C)=O.[H-].[Na+]
InChIInChI=1S/3C2H4O2.Al.Na.H/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;;/q;;;+3;+1;-1/p-3
InChIKeyIANLSTQQTLEBHD-UHFFFAOYSA-K
XLogP-3.22
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 5-3.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[acetyloxy(ethyl)alumanyl] acetate
CID 139645372
sodium;hydride;iodo acetate;trihydrate
CID 174829921
sodium;amino acetate;hydride;hydrochloride
CID 174988291
trisodium;acetic acid;hydride
CID 172996834
tricosasodium;acetic acid;hydride
CID 173423110
sodium;alumane;hydride;propan-2-one
CID 175242051
disodium;carboxy acetate;hydride
CID 173364721
CID 172779404
CID 172779404
dicalcium;acetyl acetate;hydride
CID 174404063
sodium;ethaneperoxoic acid;bromide
CID 175568504
di(propanoyloxy)alumanyl propanoate
CID 16703977
sodium;carbonic acid;carboxy acetate;hydride
CID 175059238

Frequently Asked Questions

What is the IUPAC name of sodium;diacetyloxyalumanyl acetate;hydride?
The IUPAC name of sodium;diacetyloxyalumanyl acetate;hydride (CID 23708319) is sodium;diacetyloxyalumanyl acetate;hydride.
What is the SMILES notation for sodium;diacetyloxyalumanyl acetate;hydride?
The canonical SMILES for sodium;diacetyloxyalumanyl acetate;hydride is CC(=O)O[Al](OC(C)=O)OC(C)=O.[H-].[Na+].
What is the InChIKey of sodium;diacetyloxyalumanyl acetate;hydride?
The InChIKey is IANLSTQQTLEBHD-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4O2.Al.Na.H/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;;/q;;;+3;+1;-1/p-3.
What are the key properties of sodium;diacetyloxyalumanyl acetate;hydride?
sodium;diacetyloxyalumanyl acetate;hydride has a molecular weight of 228.11 g/mol, XLogP of -3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diacetyloxyalumanyl acetate;hydride is sourced from PubChem (CID 23708319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).