2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol

C11H19NO3 — CID 16736976

IUPAC2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol
SMILESOCCN1CC2(CC2)C2(C1)OCCCO2
InChIInChI=1S/C11H19NO3/c13-5-4-12-8-10(2-3-10)11(9-12)14-6-1-7-15-11/h13H,1-9H2
InChIKeyYQZUDLYGFFBZPK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.21
Rot. Bonds2

About 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol

2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol (PubChem CID 16736976) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol.

Molecular Properties

Compound Name2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol
PubChem CID16736976
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol
SMILESOCCN1CC2(CC2)C2(C1)OCCCO2
InChIInChI=1S/C11H19NO3/c13-5-4-12-8-10(2-3-10)11(9-12)14-6-1-7-15-11/h13H,1-9H2
InChIKeyYQZUDLYGFFBZPK-UHFFFAOYSA-N
XLogP0.21
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62262765
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Frequently Asked Questions

What is the IUPAC name of 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol?
The IUPAC name of 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol (CID 16736976) is 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol.
What is the SMILES notation for 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol?
The canonical SMILES for 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol is OCCN1CC2(CC2)C2(C1)OCCCO2.
What is the InChIKey of 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol?
The InChIKey is YQZUDLYGFFBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-5-4-12-8-10(2-3-10)11(9-12)14-6-1-7-15-11/h13H,1-9H2.
What are the key properties of 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol?
2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,9-dioxa-11-azadispiro[2.0.54.33]dodecan-11-yl)ethanol is sourced from PubChem (CID 16736976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).