lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane

C8H13LiO2 — CID 135050160

IUPAClithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane
SMILES[CH2-]C1CCCC12OCCO2.[Li+]
InChIInChI=1S/C8H13O2.Li/c1-7-3-2-4-8(7)9-5-6-10-8;/h7H,1-6H2;/q-1;+1
InChIKeyLEOJFEPEMMNEAY-UHFFFAOYSA-N
MW148.13 g/mol
LogP-1.63
Rot. Bonds

About lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane

lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 135050160) has the molecular formula C8H13LiO2 and a molecular weight of 148.13 g/mol. Its IUPAC name is lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Namelithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane
PubChem CID135050160
Molecular FormulaC8H13LiO2
Molecular Weight148.13 g/mol
Exact Mass148.11
IUPAC Namelithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane
SMILES[CH2-]C1CCCC12OCCO2.[Li+]
InChIInChI=1S/C8H13O2.Li/c1-7-3-2-4-8(7)9-5-6-10-8;/h7H,1-6H2;/q-1;+1
InChIKeyLEOJFEPEMMNEAY-UHFFFAOYSA-N
XLogP-1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-methanidyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane (CID 135050160) is lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane is [CH2-]C1CCCC12OCCO2.[Li+].
What is the InChIKey of lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is LEOJFEPEMMNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2.Li/c1-7-3-2-4-8(7)9-5-6-10-8;/h7H,1-6H2;/q-1;+1.
What are the key properties of lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane?
lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 148.13 g/mol, XLogP of -1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 9-methanidyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 135050160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).