dilithium;1-ethylcyclopentan-1-olate

C7H12Li2O — CID 134890394

IUPACdilithium;1-ethylcyclopentan-1-olate
SMILES[CH2-]CC1([O-])CCCC1.[Li+].[Li+]
InChIInChI=1S/C7H12O.2Li/c1-2-7(8)5-3-4-6-7;;/h1-6H2;;/q-2;2*+1
InChIKeyMAQDEPKVYOEDBP-UHFFFAOYSA-N
MW126.05 g/mol
LogP-5.11
Rot. Bonds1

About dilithium;1-ethylcyclopentan-1-olate

dilithium;1-ethylcyclopentan-1-olate (PubChem CID 134890394) has the molecular formula C7H12Li2O and a molecular weight of 126.05 g/mol. Its IUPAC name is dilithium;1-ethylcyclopentan-1-olate.

Molecular Properties

Compound Namedilithium;1-ethylcyclopentan-1-olate
PubChem CID134890394
Molecular FormulaC7H12Li2O
Molecular Weight126.05 g/mol
Exact Mass126.12
IUPAC Namedilithium;1-ethylcyclopentan-1-olate
SMILES[CH2-]CC1([O-])CCCC1.[Li+].[Li+]
InChIInChI=1S/C7H12O.2Li/c1-2-7(8)5-3-4-6-7;;/h1-6H2;;/q-2;2*+1
InChIKeyMAQDEPKVYOEDBP-UHFFFAOYSA-N
XLogP-5.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.05
LogP ≤ 5-5.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;1-ethylcyclopentan-1-olate?
The IUPAC name of dilithium;1-ethylcyclopentan-1-olate (CID 134890394) is dilithium;1-ethylcyclopentan-1-olate.
What is the SMILES notation for dilithium;1-ethylcyclopentan-1-olate?
The canonical SMILES for dilithium;1-ethylcyclopentan-1-olate is [CH2-]CC1([O-])CCCC1.[Li+].[Li+].
What is the InChIKey of dilithium;1-ethylcyclopentan-1-olate?
The InChIKey is MAQDEPKVYOEDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.2Li/c1-2-7(8)5-3-4-6-7;;/h1-6H2;;/q-2;2*+1.
What are the key properties of dilithium;1-ethylcyclopentan-1-olate?
dilithium;1-ethylcyclopentan-1-olate has a molecular weight of 126.05 g/mol, XLogP of -5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-ethylcyclopentan-1-olate is sourced from PubChem (CID 134890394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).