2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol

C14H25NO2 — CID 111439750

IUPAC2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol
SMILESOCCOCCN1CCCC2(CC=CCC2)C1
InChIInChI=1S/C14H25NO2/c16-10-12-17-11-9-15-8-4-7-14(13-15)5-2-1-3-6-14/h1-2,16H,3-13H2
InChIKeyKIUQCLKQDDBHPD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.82
Rot. Bonds5

About 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol

2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol (PubChem CID 111439750) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol
PubChem CID111439750
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol
SMILESOCCOCCN1CCCC2(CC=CCC2)C1
InChIInChI=1S/C14H25NO2/c16-10-12-17-11-9-15-8-4-7-14(13-15)5-2-1-3-6-14/h1-2,16H,3-13H2
InChIKeyKIUQCLKQDDBHPD-UHFFFAOYSA-N
XLogP1.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol (CID 111439750) is 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol is OCCOCCN1CCCC2(CC=CCC2)C1.
What is the InChIKey of 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol?
The InChIKey is KIUQCLKQDDBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-10-12-17-11-9-15-8-4-7-14(13-15)5-2-1-3-6-14/h1-2,16H,3-13H2.
What are the key properties of 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol?
2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol has a molecular weight of 239.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol is sourced from PubChem (CID 111439750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).