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

C14H25NO3 — CID 90537326

IUPAC1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C14H25NO3/c1-12(2,3)6-11(16)15-7-14(8-15)9-17-13(4,5)18-10-14/h6-10H2,1-5H3
InChIKeyCYAYPVKRCACQHO-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.03
Rot. Bonds1

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

1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one (PubChem CID 90537326) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
PubChem CID90537326
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C14H25NO3/c1-12(2,3)6-11(16)15-7-14(8-15)9-17-13(4,5)18-10-14/h6-10H2,1-5H3
InChIKeyCYAYPVKRCACQHO-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.03
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)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one (CID 90537326) is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one is CC(C)(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)-3,3-dimethylbutan-1-one?
The InChIKey is CYAYPVKRCACQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2,3)6-11(16)15-7-14(8-15)9-17-13(4,5)18-10-14/h6-10H2,1-5H3.
What are the key properties of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one?
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one has a molecular weight of 255.36 g/mol, XLogP of 2.03, 1 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)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 90537326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).