2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol

C18H35NO2 — CID 162814684

IUPAC2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol
SMILESCCCCCCCCCC1CC(O)CC2(CCCCN2)O1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-11-17-14-16(20)15-18(21-17)12-9-10-13-19-18/h16-17,19-20H,2-15H2,1H3
InChIKeyZHVCUICBHSGXOZ-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.14
Rot. Bonds8

About 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol

2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol (PubChem CID 162814684) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol
PubChem CID162814684
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol
SMILESCCCCCCCCCC1CC(O)CC2(CCCCN2)O1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-11-17-14-16(20)15-18(21-17)12-9-10-13-19-18/h16-17,19-20H,2-15H2,1H3
InChIKeyZHVCUICBHSGXOZ-UHFFFAOYSA-N
XLogP4.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol (CID 162814684) is 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol is CCCCCCCCCC1CC(O)CC2(CCCCN2)O1.
What is the InChIKey of 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol?
The InChIKey is ZHVCUICBHSGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-11-17-14-16(20)15-18(21-17)12-9-10-13-19-18/h16-17,19-20H,2-15H2,1H3.
What are the key properties of 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol?
2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol has a molecular weight of 297.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1-oxa-7-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 162814684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).