sodium triethoxyalumane

C6H15AlNaO3+ — CID 57452515

IUPACsodium triethoxyalumane
SMILESCCO[Al](OCC)OCC.[Na+]
InChIInChI=1S/3C2H5O.Al.Na/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+3;+1
InChIKeyNIPUCWPSLWGCBC-UHFFFAOYSA-N
MW185.15 g/mol
LogP-1.92
Rot. Bonds6

About sodium triethoxyalumane

sodium triethoxyalumane (PubChem CID 57452515) has the molecular formula C6H15AlNaO3+ and a molecular weight of 185.15 g/mol. Its IUPAC name is sodium triethoxyalumane.

Molecular Properties

Compound Namesodium triethoxyalumane
PubChem CID57452515
Molecular FormulaC6H15AlNaO3+
Molecular Weight185.15 g/mol
Exact Mass185.07
IUPAC Namesodium triethoxyalumane
SMILESCCO[Al](OCC)OCC.[Na+]
InChIInChI=1S/3C2H5O.Al.Na/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+3;+1
InChIKeyNIPUCWPSLWGCBC-UHFFFAOYSA-N
XLogP-1.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

triethoxyalumane
CID 141061757
CID 87119276
CID 87119276
[ethoxy(propanoyloxy)alumanyl] propanoate
CID 88665930
disodium;ethoxyethane
CID 23107014
propan-2-ol;tripropoxyalumane
CID 159839626
4-[3-aminopropoxy(ethoxy)alumanyl]oxy-4,4-diethoxybutan-1-amine
CID 175292925
calcium;sodium;ethoxyethane;hydride
CID 173354921
sodium propane
CID 18410128
propane;ruthenium
CID 161061794
ethoxy-methyl-(oxiran-2-yl)alumane
CID 58833483
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445

Frequently Asked Questions

What is the IUPAC name of sodium triethoxyalumane?
The IUPAC name of sodium triethoxyalumane (CID 57452515) is sodium triethoxyalumane.
What is the SMILES notation for sodium triethoxyalumane?
The canonical SMILES for sodium triethoxyalumane is CCO[Al](OCC)OCC.[Na+].
What is the InChIKey of sodium triethoxyalumane?
The InChIKey is NIPUCWPSLWGCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O.Al.Na/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+3;+1.
What are the key properties of sodium triethoxyalumane?
sodium triethoxyalumane has a molecular weight of 185.15 g/mol, XLogP of -1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium triethoxyalumane is sourced from PubChem (CID 57452515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).