Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl-

C8H11LiO2 — CID 11804899

IUPAC—
SMILES[C-]1=CCCCC12OCCO2.[Li+]
InChIInChI=1S/C8H11O2.Li/c1-2-4-8(5-3-1)9-6-7-10-8;/h2H,1,3,5-7H2;/q-1;+1
InChIKeyCEEISNXUZOMQKC-UHFFFAOYSA-N
MW146.12 g/mol
LogP-1.72
Rot. Bonds

About Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl-

Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl- (PubChem CID 11804899) has the molecular formula C8H11LiO2 and a molecular weight of 146.12 g/mol.

Molecular Properties

Compound NameLithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl-
PubChem CID11804899
Molecular FormulaC8H11LiO2
Molecular Weight146.12 g/mol
Exact Mass146.09
IUPAC Name—
SMILES[C-]1=CCCCC12OCCO2.[Li+]
InChIInChI=1S/C8H11O2.Li/c1-2-4-8(5-3-1)9-6-7-10-8;/h2H,1,3,5-7H2;/q-1;+1
InChIKeyCEEISNXUZOMQKC-UHFFFAOYSA-N
XLogP-1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl- with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl-?
The IUPAC name of Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl- (CID 11804899) is not available.
What is the SMILES notation for Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl-?
The canonical SMILES for Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl- is [C-]1=CCCCC12OCCO2.[Li+].
What is the InChIKey of Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl-?
The InChIKey is CEEISNXUZOMQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.Li/c1-2-4-8(5-3-1)9-6-7-10-8;/h2H,1,3,5-7H2;/q-1;+1.
What are the key properties of Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl-?
Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl- has a molecular weight of 146.12 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium, 1,4-dioxaspiro[4.5]dec-6-en-6-yl- is sourced from PubChem (CID 11804899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).