lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate

C6H9LiO2 — CID 23715486

IUPAClithium 5-methyl-3,4-dihydro-2H-pyran-6-olate
SMILESCC1=C([O-])OCCC1.[Li+]
InChIInChI=1S/C6H10O2.Li/c1-5-3-2-4-8-6(5)7;/h7H,2-4H2,1H3;/q;+1/p-1
InChIKeyJRMJGAUVYGKMCX-UHFFFAOYSA-M
MW120.08 g/mol
LogP-2.61
Rot. Bonds

About lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate

lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate (PubChem CID 23715486) has the molecular formula C6H9LiO2 and a molecular weight of 120.08 g/mol. Its IUPAC name is lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate.

Molecular Properties

Compound Namelithium 5-methyl-3,4-dihydro-2H-pyran-6-olate
PubChem CID23715486
Molecular FormulaC6H9LiO2
Molecular Weight120.08 g/mol
Exact Mass120.08
IUPAC Namelithium 5-methyl-3,4-dihydro-2H-pyran-6-olate
SMILESCC1=C([O-])OCCC1.[Li+]
InChIInChI=1S/C6H10O2.Li/c1-5-3-2-4-8-6(5)7;/h7H,2-4H2,1H3;/q;+1/p-1
InChIKeyJRMJGAUVYGKMCX-UHFFFAOYSA-M
XLogP-2.61
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 5-2.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate?
The IUPAC name of lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate (CID 23715486) is lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate.
What is the SMILES notation for lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate?
The canonical SMILES for lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate is CC1=C([O-])OCCC1.[Li+].
What is the InChIKey of lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate?
The InChIKey is JRMJGAUVYGKMCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O2.Li/c1-5-3-2-4-8-6(5)7;/h7H,2-4H2,1H3;/q;+1/p-1.
What are the key properties of lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate?
lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate has a molecular weight of 120.08 g/mol, XLogP of -2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate is sourced from PubChem (CID 23715486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).