2-hexyl-5-oxa-2-azaspiro[3.4]octane

C12H23NO — CID 139359499

IUPAC2-hexyl-5-oxa-2-azaspiro[3.4]octane
SMILESCCCCCCN1CC2(CCCO2)C1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-8-13-10-12(11-13)7-6-9-14-12/h2-11H2,1H3
InChIKeySHDFXRLDAWMKOT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds5

About 2-hexyl-5-oxa-2-azaspiro[3.4]octane

2-hexyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 139359499) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-hexyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-hexyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID139359499
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-hexyl-5-oxa-2-azaspiro[3.4]octane
SMILESCCCCCCN1CC2(CCCO2)C1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-8-13-10-12(11-13)7-6-9-14-12/h2-11H2,1H3
InChIKeySHDFXRLDAWMKOT-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-hexyl-5-oxa-2-azaspiro[3.4]octane (CID 139359499) is 2-hexyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-hexyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-hexyl-5-oxa-2-azaspiro[3.4]octane is CCCCCCN1CC2(CCCO2)C1.
What is the InChIKey of 2-hexyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is SHDFXRLDAWMKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-8-13-10-12(11-13)7-6-9-14-12/h2-11H2,1H3.
What are the key properties of 2-hexyl-5-oxa-2-azaspiro[3.4]octane?
2-hexyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 197.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 139359499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).