2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol

C11H21NO2 — CID 13270979

IUPAC2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol
SMILESOCCN1CCOC12CCCCCC2
InChIInChI=1S/C11H21NO2/c13-9-7-12-8-10-14-11(12)5-3-1-2-4-6-11/h13H,1-10H2
InChIKeyPPBCFYHUOYXXBV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.36
Rot. Bonds2

About 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol

2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol (PubChem CID 13270979) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol
PubChem CID13270979
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol
SMILESOCCN1CCOC12CCCCCC2
InChIInChI=1S/C11H21NO2/c13-9-7-12-8-10-14-11(12)5-3-1-2-4-6-11/h13H,1-10H2
InChIKeyPPBCFYHUOYXXBV-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
The IUPAC name of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol (CID 13270979) is 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
The canonical SMILES for 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol is OCCN1CCOC12CCCCCC2.
What is the InChIKey of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
The InChIKey is PPBCFYHUOYXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-9-7-12-8-10-14-11(12)5-3-1-2-4-6-11/h13H,1-10H2.
What are the key properties of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol has a molecular weight of 199.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol is sourced from PubChem (CID 13270979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).