lithium oxolan-2-ylmethanolate

C5H9LiO2 — CID 22600284

IUPAClithium oxolan-2-ylmethanolate
SMILES[Li+].[O-]CC1CCCO1
InChIInChI=1S/C5H9O2.Li/c6-4-5-2-1-3-7-5;/h5H,1-4H2;/q-1;+1
InChIKeyAVWKRJGIAKYKPN-UHFFFAOYSA-N
MW108.07 g/mol
LogP-3.47
Rot. Bonds1

About lithium oxolan-2-ylmethanolate

lithium oxolan-2-ylmethanolate (PubChem CID 22600284) has the molecular formula C5H9LiO2 and a molecular weight of 108.07 g/mol. Its IUPAC name is lithium oxolan-2-ylmethanolate.

Molecular Properties

Compound Namelithium oxolan-2-ylmethanolate
PubChem CID22600284
Molecular FormulaC5H9LiO2
Molecular Weight108.07 g/mol
Exact Mass108.08
IUPAC Namelithium oxolan-2-ylmethanolate
SMILES[Li+].[O-]CC1CCCO1
InChIInChI=1S/C5H9O2.Li/c6-4-5-2-1-3-7-5;/h5H,1-4H2;/q-1;+1
InChIKeyAVWKRJGIAKYKPN-UHFFFAOYSA-N
XLogP-3.47
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-3.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium oxolan-2-ylmethanolate?
The IUPAC name of lithium oxolan-2-ylmethanolate (CID 22600284) is lithium oxolan-2-ylmethanolate.
What is the SMILES notation for lithium oxolan-2-ylmethanolate?
The canonical SMILES for lithium oxolan-2-ylmethanolate is [Li+].[O-]CC1CCCO1.
What is the InChIKey of lithium oxolan-2-ylmethanolate?
The InChIKey is AVWKRJGIAKYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.Li/c6-4-5-2-1-3-7-5;/h5H,1-4H2;/q-1;+1.
What are the key properties of lithium oxolan-2-ylmethanolate?
lithium oxolan-2-ylmethanolate has a molecular weight of 108.07 g/mol, XLogP of -3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium oxolan-2-ylmethanolate is sourced from PubChem (CID 22600284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).