1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one

C13H23NO3 — CID 90537325

IUPAC1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C13H23NO3/c1-10(2)5-11(15)14-6-13(7-14)8-16-12(3,4)17-9-13/h10H,5-9H2,1-4H3
InChIKeyUMNJCWAQLHMFHY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.64
Rot. Bonds2

About 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one

1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one (PubChem CID 90537325) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one
PubChem CID90537325
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C13H23NO3/c1-10(2)5-11(15)14-6-13(7-14)8-16-12(3,4)17-9-13/h10H,5-9H2,1-4H3
InChIKeyUMNJCWAQLHMFHY-UHFFFAOYSA-N
XLogP1.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one (CID 90537325) is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CC2(COC(C)(C)OC2)C1.
What is the InChIKey of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one?
The InChIKey is UMNJCWAQLHMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)5-11(15)14-6-13(7-14)8-16-12(3,4)17-9-13/h10H,5-9H2,1-4H3.
What are the key properties of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one?
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 90537325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).