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Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane

C12H25NO — CID 153357238

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane
SMILESCC.CCN1CCCC2(CCCO2)C1
InChIInChI=1S/C10H19NO.C2H6/c1-2-11-7-3-5-10(9-11)6-4-8-12-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyWMTMZKAELHTSCL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds1

About Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane

Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 153357238) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound NameEthane;9-ethyl-1-oxa-9-azaspiro[4.5]decane
PubChem CID153357238
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane
SMILESCC.CCN1CCCC2(CCCO2)C1
InChIInChI=1S/C10H19NO.C2H6/c1-2-11-7-3-5-10(9-11)6-4-8-12-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyWMTMZKAELHTSCL-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane (CID 153357238) is ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane is CC.CCN1CCCC2(CCCO2)C1.
What is the InChIKey of Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is WMTMZKAELHTSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-2-11-7-3-5-10(9-11)6-4-8-12-10;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane?
Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 199.34 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 153357238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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