7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one

C15H27NO3 — CID 71116102

IUPAC7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C(C)(C)C)C1(CO)CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C15H27NO3/c1-11(13(2,3)4)14(10-17)6-5-7-15(8-14)9-16-12(18)19-15/h11,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyAIOUERGFLLLGNF-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.70
Rot. Bonds2

About 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one

7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 71116102) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID71116102
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C(C)(C)C)C1(CO)CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C15H27NO3/c1-11(13(2,3)4)14(10-17)6-5-7-15(8-14)9-16-12(18)19-15/h11,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyAIOUERGFLLLGNF-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one (CID 71116102) is 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one is CC(C(C)(C)C)C1(CO)CCCC2(CNC(=O)O2)C1.
What is the InChIKey of 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is AIOUERGFLLLGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(13(2,3)4)14(10-17)6-5-7-15(8-14)9-16-12(18)19-15/h11,17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 269.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbutan-2-yl)-7-(hydroxymethyl)-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 71116102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).