2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one

C14H25NO2 — CID 66804096

IUPAC2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one
SMILESCC(C)C1CCOCC12CCN(C(C)C)C2=O
InChIInChI=1S/C14H25NO2/c1-10(2)12-5-8-17-9-14(12)6-7-15(11(3)4)13(14)16/h10-12H,5-9H2,1-4H3
InChIKeyAKVGKKCTRVKBDU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.31
Rot. Bonds2

About 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one

2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one (PubChem CID 66804096) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one
PubChem CID66804096
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one
SMILESCC(C)C1CCOCC12CCN(C(C)C)C2=O
InChIInChI=1S/C14H25NO2/c1-10(2)12-5-8-17-9-14(12)6-7-15(11(3)4)13(14)16/h10-12H,5-9H2,1-4H3
InChIKeyAKVGKKCTRVKBDU-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one (CID 66804096) is 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one is CC(C)C1CCOCC12CCN(C(C)C)C2=O.
What is the InChIKey of 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one?
The InChIKey is AKVGKKCTRVKBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)12-5-8-17-9-14(12)6-7-15(11(3)4)13(14)16/h10-12H,5-9H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one?
2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-9-oxa-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 66804096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).