lithium 2,3,4,6-tetrahydropyran-6-ide

C5H7LiO — CID 10942341

IUPAClithium 2,3,4,6-tetrahydropyran-6-ide
SMILES[C-]1=CCCCO1.[Li+]
InChIInChI=1S/C5H7O.Li/c1-2-4-6-5-3-1;/h2H,1,3,5H2;/q-1;+1
InChIKeyCOFDSCXSDIYSGS-UHFFFAOYSA-N
MW90.05 g/mol
LogP-1.88
Rot. Bonds

About lithium 2,3,4,6-tetrahydropyran-6-ide

lithium 2,3,4,6-tetrahydropyran-6-ide (PubChem CID 10942341) has the molecular formula C5H7LiO and a molecular weight of 90.05 g/mol. Its IUPAC name is lithium 2,3,4,6-tetrahydropyran-6-ide.

Molecular Properties

Compound Namelithium 2,3,4,6-tetrahydropyran-6-ide
PubChem CID10942341
Molecular FormulaC5H7LiO
Molecular Weight90.05 g/mol
Exact Mass90.07
IUPAC Namelithium 2,3,4,6-tetrahydropyran-6-ide
SMILES[C-]1=CCCCO1.[Li+]
InChIInChI=1S/C5H7O.Li/c1-2-4-6-5-3-1;/h2H,1,3,5H2;/q-1;+1
InChIKeyCOFDSCXSDIYSGS-UHFFFAOYSA-N
XLogP-1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.05
LogP ≤ 5-1.88
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 lithium 2,3,4,6-tetrahydropyran-6-ide?
The IUPAC name of lithium 2,3,4,6-tetrahydropyran-6-ide (CID 10942341) is lithium 2,3,4,6-tetrahydropyran-6-ide.
What is the SMILES notation for lithium 2,3,4,6-tetrahydropyran-6-ide?
The canonical SMILES for lithium 2,3,4,6-tetrahydropyran-6-ide is [C-]1=CCCCO1.[Li+].
What is the InChIKey of lithium 2,3,4,6-tetrahydropyran-6-ide?
The InChIKey is COFDSCXSDIYSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O.Li/c1-2-4-6-5-3-1;/h2H,1,3,5H2;/q-1;+1.
What are the key properties of lithium 2,3,4,6-tetrahydropyran-6-ide?
lithium 2,3,4,6-tetrahydropyran-6-ide has a molecular weight of 90.05 g/mol, XLogP of -1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3,4,6-tetrahydropyran-6-ide is sourced from PubChem (CID 10942341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).