2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten

C9H16NOW- — CID 176924964

IUPAC2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten
SMILES[CH2-]CCN1CC2(CCOC2)C1.[W]
InChIInChI=1S/C9H16NO.W/c1-2-4-10-6-9(7-10)3-5-11-8-9;/h1-8H2;/q-1;
InChIKeyXZIJWRZCZUVXOW-UHFFFAOYSA-N
MW338.07 g/mol
LogP0.93
Rot. Bonds2

About 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten

2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten (PubChem CID 176924964) has the molecular formula C9H16NOW- and a molecular weight of 338.07 g/mol. Its IUPAC name is 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten.

Molecular Properties

Compound Name2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten
PubChem CID176924964
Molecular FormulaC9H16NOW-
Molecular Weight338.07 g/mol
Exact Mass338.07
IUPAC Name2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten
SMILES[CH2-]CCN1CC2(CCOC2)C1.[W]
InChIInChI=1S/C9H16NO.W/c1-2-4-10-6-9(7-10)3-5-11-8-9;/h1-8H2;/q-1;
InChIKeyXZIJWRZCZUVXOW-UHFFFAOYSA-N
XLogP0.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 50.93
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 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten?
The IUPAC name of 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten (CID 176924964) is 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten.
What is the SMILES notation for 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten?
The canonical SMILES for 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten is [CH2-]CCN1CC2(CCOC2)C1.[W].
What is the InChIKey of 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten?
The InChIKey is XZIJWRZCZUVXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO.W/c1-2-4-10-6-9(7-10)3-5-11-8-9;/h1-8H2;/q-1;.
What are the key properties of 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten?
2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten has a molecular weight of 338.07 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-oxa-2-azaspiro[3.4]octane;tungsten is sourced from PubChem (CID 176924964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).