lithium;hydride;tributoxyalumane

C12H28AlLiO3 — CID 16702147

IUPAClithium;hydride;tributoxyalumane
SMILESCCCCO[Al](OCCCC)OCCCC.[H-].[Li+]
InChIInChI=1S/3C4H9O.Al.Li.H/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;+3;+1;-1
InChIKeyXIBWXKCNMDQBHM-UHFFFAOYSA-N
MW254.28 g/mol
LogP0.54
Rot. Bonds12

About lithium;hydride;tributoxyalumane

lithium;hydride;tributoxyalumane (PubChem CID 16702147) has the molecular formula C12H28AlLiO3 and a molecular weight of 254.28 g/mol. Its IUPAC name is lithium;hydride;tributoxyalumane.

Molecular Properties

Compound Namelithium;hydride;tributoxyalumane
PubChem CID16702147
Molecular FormulaC12H28AlLiO3
Molecular Weight254.28 g/mol
Exact Mass254.20
IUPAC Namelithium;hydride;tributoxyalumane
SMILESCCCCO[Al](OCCCC)OCCCC.[H-].[Li+]
InChIInChI=1S/3C4H9O.Al.Li.H/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;+3;+1;-1
InChIKeyXIBWXKCNMDQBHM-UHFFFAOYSA-N
XLogP0.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;tributoxyalumane?
The IUPAC name of lithium;hydride;tributoxyalumane (CID 16702147) is lithium;hydride;tributoxyalumane.
What is the SMILES notation for lithium;hydride;tributoxyalumane?
The canonical SMILES for lithium;hydride;tributoxyalumane is CCCCO[Al](OCCCC)OCCCC.[H-].[Li+].
What is the InChIKey of lithium;hydride;tributoxyalumane?
The InChIKey is XIBWXKCNMDQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al.Li.H/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;+3;+1;-1.
What are the key properties of lithium;hydride;tributoxyalumane?
lithium;hydride;tributoxyalumane has a molecular weight of 254.28 g/mol, XLogP of 0.54, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;tributoxyalumane is sourced from PubChem (CID 16702147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).