dilithium;hexan-1-olate

C6H12Li2O — CID 166060241

IUPACdilithium;hexan-1-olate
SMILES[CH2-]CCCCC[O-].[Li+].[Li+]
InChIInChI=1S/C6H12O.2Li/c1-2-3-4-5-6-7;;/h1-6H2;;/q-2;2*+1
InChIKeyYWQGZICQZAILKU-UHFFFAOYSA-N
MW114.04 g/mol
LogP-5.25
Rot. Bonds4

About dilithium;hexan-1-olate

dilithium;hexan-1-olate (PubChem CID 166060241) has the molecular formula C6H12Li2O and a molecular weight of 114.04 g/mol. Its IUPAC name is dilithium;hexan-1-olate.

Molecular Properties

Compound Namedilithium;hexan-1-olate
PubChem CID166060241
Molecular FormulaC6H12Li2O
Molecular Weight114.04 g/mol
Exact Mass114.12
IUPAC Namedilithium;hexan-1-olate
SMILES[CH2-]CCCCC[O-].[Li+].[Li+]
InChIInChI=1S/C6H12O.2Li/c1-2-3-4-5-6-7;;/h1-6H2;;/q-2;2*+1
InChIKeyYWQGZICQZAILKU-UHFFFAOYSA-N
XLogP-5.25
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.04
LogP ≤ 5-5.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lithium 1-hexanolate
CID 23678648
Hexan-1-olate
CID 22606972
Dilithium;carbanide;hexan-1-olate
CID 135057041
Hexan-1-olate
CID 53627517
Dilithium;pentan-1-olate
CID 166060208
Lithium;magnesium;hexan-1-olate;chloride
CID 166060222
Lithium;magnesium;hexan-1-olate;chloride
CID 166060240
Lithium;magnesium;hexan-1-olate;bromide
CID 166060247
Lithium;magnesium;hexan-1-olate;bromide
CID 166060251
CID 5488850
CID 5488850
CID 53627463
CID 53627463

Frequently Asked Questions

What is the IUPAC name of dilithium;hexan-1-olate?
The IUPAC name of dilithium;hexan-1-olate (CID 166060241) is dilithium;hexan-1-olate.
What is the SMILES notation for dilithium;hexan-1-olate?
The canonical SMILES for dilithium;hexan-1-olate is [CH2-]CCCCC[O-].[Li+].[Li+].
What is the InChIKey of dilithium;hexan-1-olate?
The InChIKey is YWQGZICQZAILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2Li/c1-2-3-4-5-6-7;;/h1-6H2;;/q-2;2*+1.
What are the key properties of dilithium;hexan-1-olate?
dilithium;hexan-1-olate has a molecular weight of 114.04 g/mol, XLogP of -5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hexan-1-olate is sourced from PubChem (CID 166060241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).