2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane

C11H21NO — CID 58700166

IUPAC2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane
SMILES[3H]C1([3H])CC2(CCC(C)(C)O2)CC([3H])([3H])N1C
InChIInChI=1S/C11H21NO/c1-10(2)4-5-11(13-10)6-8-12(3)9-7-11/h4-9H2,1-3H3/i8T2,9T2
InChIKeyLEQUXMANUFLLNS-OFALQHECSA-N
MW191.33 g/mol
LogP2.04
Rot. Bonds

About 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane

2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane (PubChem CID 58700166) has the molecular formula C11H21NO and a molecular weight of 191.33 g/mol. Its IUPAC name is 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane
PubChem CID58700166
Molecular FormulaC11H21NO
Molecular Weight191.33 g/mol
Exact Mass191.20
IUPAC Name2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane
SMILES[3H]C1([3H])CC2(CCC(C)(C)O2)CC([3H])([3H])N1C
InChIInChI=1S/C11H21NO/c1-10(2)4-5-11(13-10)6-8-12(3)9-7-11/h4-9H2,1-3H3/i8T2,9T2
InChIKeyLEQUXMANUFLLNS-OFALQHECSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane 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 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane (CID 58700166) is 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane is [3H]C1([3H])CC2(CCC(C)(C)O2)CC([3H])([3H])N1C.
What is the InChIKey of 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is LEQUXMANUFLLNS-OFALQHECSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)4-5-11(13-10)6-8-12(3)9-7-11/h4-9H2,1-3H3/i8T2,9T2.
What are the key properties of 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane?
2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 191.33 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-7,7,9,9-tetratritio-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 58700166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).