2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol

C13H25NO2 — CID 106159274

IUPAC2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
SMILESCC(CO)CCCN1CC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-12(9-15)3-2-6-14-10-13(11-14)4-7-16-8-5-13/h12,15H,2-11H2,1H3
InChIKeySWDYZSVSLRVPHJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol

2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol (PubChem CID 106159274) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
PubChem CID106159274
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
SMILESCC(CO)CCCN1CC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-12(9-15)3-2-6-14-10-13(11-14)4-7-16-8-5-13/h12,15H,2-11H2,1H3
InChIKeySWDYZSVSLRVPHJ-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The IUPAC name of 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol (CID 106159274) is 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol is CC(CO)CCCN1CC2(CCOCC2)C1.
What is the InChIKey of 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The InChIKey is SWDYZSVSLRVPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(9-15)3-2-6-14-10-13(11-14)4-7-16-8-5-13/h12,15H,2-11H2,1H3.
What are the key properties of 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol is sourced from PubChem (CID 106159274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).