3,8-dioxa-11-azaspiro[5.6]dodecane

C9H17NO2 — CID 75480716

IUPAC3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESC1COCC2(CCOCC2)CN1
InChIInChI=1S/C9H17NO2/c1-4-11-5-2-9(1)7-10-3-6-12-8-9/h10H,1-8H2
InChIKeyJMCANWXKEVZZPJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.40
Rot. Bonds

About 3,8-dioxa-11-azaspiro[5.6]dodecane

3,8-dioxa-11-azaspiro[5.6]dodecane (PubChem CID 75480716) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,8-dioxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name3,8-dioxa-11-azaspiro[5.6]dodecane
PubChem CID75480716
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESC1COCC2(CCOCC2)CN1
InChIInChI=1S/C9H17NO2/c1-4-11-5-2-9(1)7-10-3-6-12-8-9/h10H,1-8H2
InChIKeyJMCANWXKEVZZPJ-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dioxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 3,8-dioxa-11-azaspiro[5.6]dodecane (CID 75480716) is 3,8-dioxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 3,8-dioxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 3,8-dioxa-11-azaspiro[5.6]dodecane is C1COCC2(CCOCC2)CN1.
What is the InChIKey of 3,8-dioxa-11-azaspiro[5.6]dodecane?
The InChIKey is JMCANWXKEVZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-11-5-2-9(1)7-10-3-6-12-8-9/h10H,1-8H2.
What are the key properties of 3,8-dioxa-11-azaspiro[5.6]dodecane?
3,8-dioxa-11-azaspiro[5.6]dodecane has a molecular weight of 171.24 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dioxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 75480716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).