dilithium;pentane-1,5-diolate

C5H10Li2O2 — CID 23392801

IUPACdilithium;pentane-1,5-diolate
SMILES[Li+].[Li+].[O-]CCCCC[O-]
InChIInChI=1S/C5H10O2.2Li/c6-4-2-1-3-5-7;;/h1-5H2;;/q-2;2*+1
InChIKeyJLZWHJHCGRDRCM-UHFFFAOYSA-N
MW116.02 g/mol
LogP-7.11
Rot. Bonds4

About dilithium;pentane-1,5-diolate

dilithium;pentane-1,5-diolate (PubChem CID 23392801) has the molecular formula C5H10Li2O2 and a molecular weight of 116.02 g/mol. Its IUPAC name is dilithium;pentane-1,5-diolate.

Molecular Properties

Compound Namedilithium;pentane-1,5-diolate
PubChem CID23392801
Molecular FormulaC5H10Li2O2
Molecular Weight116.02 g/mol
Exact Mass116.10
IUPAC Namedilithium;pentane-1,5-diolate
SMILES[Li+].[Li+].[O-]CCCCC[O-]
InChIInChI=1S/C5H10O2.2Li/c6-4-2-1-3-5-7;;/h1-5H2;;/q-2;2*+1
InChIKeyJLZWHJHCGRDRCM-UHFFFAOYSA-N
XLogP-7.11
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.02
LogP ≤ 5-7.11
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

Pentane-1,5-diolate
CID 17819293
Dilithium;pentan-1-olate
CID 166060208

Frequently Asked Questions

What is the IUPAC name of dilithium;pentane-1,5-diolate?
The IUPAC name of dilithium;pentane-1,5-diolate (CID 23392801) is dilithium;pentane-1,5-diolate.
What is the SMILES notation for dilithium;pentane-1,5-diolate?
The canonical SMILES for dilithium;pentane-1,5-diolate is [Li+].[Li+].[O-]CCCCC[O-].
What is the InChIKey of dilithium;pentane-1,5-diolate?
The InChIKey is JLZWHJHCGRDRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.2Li/c6-4-2-1-3-5-7;;/h1-5H2;;/q-2;2*+1.
What are the key properties of dilithium;pentane-1,5-diolate?
dilithium;pentane-1,5-diolate has a molecular weight of 116.02 g/mol, XLogP of -7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;pentane-1,5-diolate is sourced from PubChem (CID 23392801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).