lithium 1-cyclopropylethanolate

C5H9LiO — CID 20660704

IUPAClithium 1-cyclopropylethanolate
SMILESCC([O-])C1CC1.[Li+]
InChIInChI=1S/C5H9O.Li/c1-4(6)5-2-3-5;/h4-5H,2-3H2,1H3;/q-1;+1
InChIKeyDBFCSHLYRQLMQZ-UHFFFAOYSA-N
MW92.07 g/mol
LogP-2.85
Rot. Bonds1

About lithium 1-cyclopropylethanolate

lithium 1-cyclopropylethanolate (PubChem CID 20660704) has the molecular formula C5H9LiO and a molecular weight of 92.07 g/mol. Its IUPAC name is lithium 1-cyclopropylethanolate.

Molecular Properties

Compound Namelithium 1-cyclopropylethanolate
PubChem CID20660704
Molecular FormulaC5H9LiO
Molecular Weight92.07 g/mol
Exact Mass92.08
IUPAC Namelithium 1-cyclopropylethanolate
SMILESCC([O-])C1CC1.[Li+]
InChIInChI=1S/C5H9O.Li/c1-4(6)5-2-3-5;/h4-5H,2-3H2,1H3;/q-1;+1
InChIKeyDBFCSHLYRQLMQZ-UHFFFAOYSA-N
XLogP-2.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 1-cyclopropylethanolate?
The IUPAC name of lithium 1-cyclopropylethanolate (CID 20660704) is lithium 1-cyclopropylethanolate.
What is the SMILES notation for lithium 1-cyclopropylethanolate?
The canonical SMILES for lithium 1-cyclopropylethanolate is CC([O-])C1CC1.[Li+].
What is the InChIKey of lithium 1-cyclopropylethanolate?
The InChIKey is DBFCSHLYRQLMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Li/c1-4(6)5-2-3-5;/h4-5H,2-3H2,1H3;/q-1;+1.
What are the key properties of lithium 1-cyclopropylethanolate?
lithium 1-cyclopropylethanolate has a molecular weight of 92.07 g/mol, XLogP of -2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-cyclopropylethanolate is sourced from PubChem (CID 20660704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).