dilithium;hexan-1-olate;pentan-1-olate

C11H24Li2O2 — CID 173388999

IUPACdilithium;hexan-1-olate;pentan-1-olate
SMILESCCCCCC[O-].CCCCC[O-].[Li+].[Li+]
InChIInChI=1S/C6H13O.C5H11O.2Li/c1-2-3-4-5-6-7;1-2-3-4-5-6;;/h2-6H2,1H3;2-5H2,1H3;;/q2*-1;2*+1
InChIKeyZUMXTDGSLWZDGJ-UHFFFAOYSA-N
MW202.19 g/mol
LogP-4.53
Rot. Bonds7

About dilithium;hexan-1-olate;pentan-1-olate

dilithium;hexan-1-olate;pentan-1-olate (PubChem CID 173388999) has the molecular formula C11H24Li2O2 and a molecular weight of 202.19 g/mol. Its IUPAC name is dilithium;hexan-1-olate;pentan-1-olate.

Molecular Properties

Compound Namedilithium;hexan-1-olate;pentan-1-olate
PubChem CID173388999
Molecular FormulaC11H24Li2O2
Molecular Weight202.19 g/mol
Exact Mass202.21
IUPAC Namedilithium;hexan-1-olate;pentan-1-olate
SMILESCCCCCC[O-].CCCCC[O-].[Li+].[Li+]
InChIInChI=1S/C6H13O.C5H11O.2Li/c1-2-3-4-5-6-7;1-2-3-4-5-6;;/h2-6H2,1H3;2-5H2,1H3;;/q2*-1;2*+1
InChIKeyZUMXTDGSLWZDGJ-UHFFFAOYSA-N
XLogP-4.53
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-4.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dimethoxyhexane
CID 542359
Magnesium di(hexanolate)
CID 15420429
Di-n-hexylperoxid
CID 12216030
Butylperoxy hexane
CID 22714819
Magnesium dihexan-1-olate
CID 24940007
Dilithium;carbanide;heptan-1-olate
CID 135006028
Dilithium;carbanide;hexan-1-olate
CID 135057041
Barium(2+);bis(hexan-1-olate)
CID 14475348
1-Hexoxysulfanyloxyhexane
CID 14747171
1-Pentylperoxyhexane
CID 21662402
Dilithium;hexan-1-olate;pentan-1-olate
CID 22152487
Dilithium;1-hexoxyhexane
CID 22915545

Frequently Asked Questions

What is the IUPAC name of dilithium;hexan-1-olate;pentan-1-olate?
The IUPAC name of dilithium;hexan-1-olate;pentan-1-olate (CID 173388999) is dilithium;hexan-1-olate;pentan-1-olate.
What is the SMILES notation for dilithium;hexan-1-olate;pentan-1-olate?
The canonical SMILES for dilithium;hexan-1-olate;pentan-1-olate is CCCCCC[O-].CCCCC[O-].[Li+].[Li+].
What is the InChIKey of dilithium;hexan-1-olate;pentan-1-olate?
The InChIKey is ZUMXTDGSLWZDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.C5H11O.2Li/c1-2-3-4-5-6-7;1-2-3-4-5-6;;/h2-6H2,1H3;2-5H2,1H3;;/q2*-1;2*+1.
What are the key properties of dilithium;hexan-1-olate;pentan-1-olate?
dilithium;hexan-1-olate;pentan-1-olate has a molecular weight of 202.19 g/mol, XLogP of -4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hexan-1-olate;pentan-1-olate is sourced from PubChem (CID 173388999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).