lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide

C7H11LiO — CID 11137145

IUPAClithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide
SMILESCC[C@H]1O[C-]=C[C@@H]1C.[Li+]
InChIInChI=1S/C7H11O.Li/c1-3-7-6(2)4-5-8-7;/h4,6-7H,3H2,1-2H3;/q-1;+1/t6-,7+;/m0./s1
InChIKeyQTBLRUSRXIMSPE-UOERWJHTSA-N
MW118.10 g/mol
LogP-1.25
Rot. Bonds1

About lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide

lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide (PubChem CID 11137145) has the molecular formula C7H11LiO and a molecular weight of 118.10 g/mol. Its IUPAC name is lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide.

Molecular Properties

Compound Namelithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide
PubChem CID11137145
Molecular FormulaC7H11LiO
Molecular Weight118.10 g/mol
Exact Mass118.10
IUPAC Namelithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide
SMILESCC[C@H]1O[C-]=C[C@@H]1C.[Li+]
InChIInChI=1S/C7H11O.Li/c1-3-7-6(2)4-5-8-7;/h4,6-7H,3H2,1-2H3;/q-1;+1/t6-,7+;/m0./s1
InChIKeyQTBLRUSRXIMSPE-UOERWJHTSA-N
XLogP-1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 5-1.25
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 (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide?
The IUPAC name of lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide (CID 11137145) is lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide.
What is the SMILES notation for lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide?
The canonical SMILES for lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide is CC[C@H]1O[C-]=C[C@@H]1C.[Li+].
What is the InChIKey of lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide?
The InChIKey is QTBLRUSRXIMSPE-UOERWJHTSA-N. The full InChI is InChI=1S/C7H11O.Li/c1-3-7-6(2)4-5-8-7;/h4,6-7H,3H2,1-2H3;/q-1;+1/t6-,7+;/m0./s1.
What are the key properties of lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide?
lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide has a molecular weight of 118.10 g/mol, XLogP of -1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2R,3S)-2-ethyl-3-methyl-3,5-dihydro-2H-furan-5-ide is sourced from PubChem (CID 11137145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).