2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C16H28N2O3 — CID 22094152

IUPAC2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(C)(C)N(CC1CO1)C2=O
InChIInChI=1S/C16H28N2O3/c1-13(2)9-16(10-14(3,4)17-13)12(19)18(7-11-8-20-11)15(5,6)21-16/h11,17H,7-10H2,1-6H3
InChIKeyUPFYYSSYSLIKBD-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds2

About 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one

2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 22094152) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID22094152
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(C)(C)N(CC1CO1)C2=O
InChIInChI=1S/C16H28N2O3/c1-13(2)9-16(10-14(3,4)17-13)12(19)18(7-11-8-20-11)15(5,6)21-16/h11,17H,7-10H2,1-6H3
InChIKeyUPFYYSSYSLIKBD-UHFFFAOYSA-N
XLogP1.66
TPSA54.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 22094152) is 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CC1(C)CC2(CC(C)(C)N1)OC(C)(C)N(CC1CO1)C2=O.
What is the InChIKey of 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is UPFYYSSYSLIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(2)9-16(10-14(3,4)17-13)12(19)18(7-11-8-20-11)15(5,6)21-16/h11,17H,7-10H2,1-6H3.
What are the key properties of 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 296.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7,9,9-hexamethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 22094152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).