4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol

C14H27NO2 — CID 106146100

IUPAC4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
SMILESCC(C)(CCCO)CN1CC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-13(2,4-3-7-16)10-15-11-14(12-15)5-8-17-9-6-14/h16H,3-12H2,1-2H3
InChIKeyVNMDVCFPXANRJS-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds5

About 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol

4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol (PubChem CID 106146100) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
PubChem CID106146100
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
SMILESCC(C)(CCCO)CN1CC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-13(2,4-3-7-16)10-15-11-14(12-15)5-8-17-9-6-14/h16H,3-12H2,1-2H3
InChIKeyVNMDVCFPXANRJS-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol (CID 106146100) is 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol is CC(C)(CCCO)CN1CC2(CCOCC2)C1.
What is the InChIKey of 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The InChIKey is VNMDVCFPXANRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,4-3-7-16)10-15-11-14(12-15)5-8-17-9-6-14/h16H,3-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol is sourced from PubChem (CID 106146100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).