2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C14H26N2O2 — CID 22094151

IUPAC2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCN1C(C)(C)CC2(CC1(C)C)OC(C)(C)NC2=O
InChIInChI=1S/C14H26N2O2/c1-11(2)8-14(9-12(3,4)16(11)7)10(17)15-13(5,6)18-14/h8-9H2,1-7H3,(H,15,17)
InChIKeyZOWSYHVOSNNBTG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.89
Rot. Bonds

About 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 22094151) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID22094151
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCN1C(C)(C)CC2(CC1(C)C)OC(C)(C)NC2=O
InChIInChI=1S/C14H26N2O2/c1-11(2)8-14(9-12(3,4)16(11)7)10(17)15-13(5,6)18-14/h8-9H2,1-7H3,(H,15,17)
InChIKeyZOWSYHVOSNNBTG-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 22094151) is 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CN1C(C)(C)CC2(CC1(C)C)OC(C)(C)NC2=O.
What is the InChIKey of 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is ZOWSYHVOSNNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)8-14(9-12(3,4)16(11)7)10(17)15-13(5,6)18-14/h8-9H2,1-7H3,(H,15,17).
What are the key properties of 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 254.37 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7,8,9,9-heptamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 22094151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).