8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane

C11H21NO2 — CID 170728235

IUPAC8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane
SMILESCC(C)(C)C1COCC2(CNC2)CO1
InChIInChI=1S/C11H21NO2/c1-10(2,3)9-4-13-7-11(8-14-9)5-12-6-11/h9,12H,4-8H2,1-3H3
InChIKeyITVBZNNAYWOTSP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.04
Rot. Bonds

About 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane

8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane (PubChem CID 170728235) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane.

Molecular Properties

Compound Name8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane
PubChem CID170728235
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane
SMILESCC(C)(C)C1COCC2(CNC2)CO1
InChIInChI=1S/C11H21NO2/c1-10(2,3)9-4-13-7-11(8-14-9)5-12-6-11/h9,12H,4-8H2,1-3H3
InChIKeyITVBZNNAYWOTSP-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropane;2-oxa-6-azaspiro[3.3]heptane
CID 169145007
7-methyl-6-oxa-2-azaspiro[3.5]nonane
CID 154577129
2-tert-butyl-5,5-dimethylmorpholine
CID 43366948
(7R)-7-methyl-2,6-dioxa-9-azaspiro[3.6]decane
CID 170028194
(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane
CID 142378975
6-oxa-2-azaspiro[3.4]octan-7-ylmethanamine
CID 91618386
5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane
CID 167376330
5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 3069289
ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride
CID 178038168
2-tert-butyl-5-ethylmorpholine
CID 43366876
methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate
CID 129322205

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane?
The IUPAC name of 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane (CID 170728235) is 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane.
What is the SMILES notation for 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane?
The canonical SMILES for 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane is CC(C)(C)C1COCC2(CNC2)CO1.
What is the InChIKey of 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane?
The InChIKey is ITVBZNNAYWOTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)9-4-13-7-11(8-14-9)5-12-6-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane?
8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane has a molecular weight of 199.29 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane is sourced from PubChem (CID 170728235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).