dilithium;pentan-1-olate

C5H10Li2O — CID 166060208

IUPACdilithium;pentan-1-olate
SMILES[CH2-]CCCC[O-].[Li+].[Li+]
InChIInChI=1S/C5H10O.2Li/c1-2-3-4-5-6;;/h1-5H2;;/q-2;2*+1
InChIKeyPYCQQMIGNVCDDU-UHFFFAOYSA-N
MW100.02 g/mol
LogP-5.64
Rot. Bonds3

About dilithium;pentan-1-olate

dilithium;pentan-1-olate (PubChem CID 166060208) has the molecular formula C5H10Li2O and a molecular weight of 100.02 g/mol. Its IUPAC name is dilithium;pentan-1-olate.

Molecular Properties

Compound Namedilithium;pentan-1-olate
PubChem CID166060208
Molecular FormulaC5H10Li2O
Molecular Weight100.02 g/mol
Exact Mass100.11
IUPAC Namedilithium;pentan-1-olate
SMILES[CH2-]CCCC[O-].[Li+].[Li+]
InChIInChI=1S/C5H10O.2Li/c1-2-3-4-5-6;;/h1-5H2;;/q-2;2*+1
InChIKeyPYCQQMIGNVCDDU-UHFFFAOYSA-N
XLogP-5.64
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.02
LogP ≤ 5-5.64
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 amylate
CID 18462829
Dilithium;butan-1-olate
CID 23704255
Dilithium;pentane-1,5-diolate
CID 23392801
Lithium;magnesium;pentan-1-olate;bromide
CID 166060205
Lithium;magnesium;pentan-1-olate;chloride
CID 166060238
Dilithium;hexan-1-olate
CID 166060241
Lithium;magnesium;pentan-1-olate;chloride
CID 166060249
Aluminum;lithium;hydride;pentan-1-olate
CID 173461815
Pentan-1-olate
CID 53627748

Frequently Asked Questions

What is the IUPAC name of dilithium;pentan-1-olate?
The IUPAC name of dilithium;pentan-1-olate (CID 166060208) is dilithium;pentan-1-olate.
What is the SMILES notation for dilithium;pentan-1-olate?
The canonical SMILES for dilithium;pentan-1-olate is [CH2-]CCCC[O-].[Li+].[Li+].
What is the InChIKey of dilithium;pentan-1-olate?
The InChIKey is PYCQQMIGNVCDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.2Li/c1-2-3-4-5-6;;/h1-5H2;;/q-2;2*+1.
What are the key properties of dilithium;pentan-1-olate?
dilithium;pentan-1-olate has a molecular weight of 100.02 g/mol, XLogP of -5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;pentan-1-olate is sourced from PubChem (CID 166060208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).