2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one

C13H25NO3Si — CID 10378504

IUPAC2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one
SMILESCN(O[Si](C)(C)C)C(C1C=CC(=O)O1)C(C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)12(10-8-9-11(15)16-10)14(4)17-18(5,6)7/h8-10,12H,1-7H3
InChIKeySHOPYBLOPONWGT-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.58
Rot. Bonds4

About 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one

2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one (PubChem CID 10378504) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one
PubChem CID10378504
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one
SMILESCN(O[Si](C)(C)C)C(C1C=CC(=O)O1)C(C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)12(10-8-9-11(15)16-10)14(4)17-18(5,6)7/h8-10,12H,1-7H3
InChIKeySHOPYBLOPONWGT-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one?
The IUPAC name of 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one (CID 10378504) is 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one.
What is the SMILES notation for 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one?
The canonical SMILES for 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one is CN(O[Si](C)(C)C)C(C1C=CC(=O)O1)C(C)(C)C.
What is the InChIKey of 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one?
The InChIKey is SHOPYBLOPONWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-13(2,3)12(10-8-9-11(15)16-10)14(4)17-18(5,6)7/h8-10,12H,1-7H3.
What are the key properties of 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one?
2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one has a molecular weight of 271.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-[methyl(trimethylsilyloxy)amino]propyl]-2H-furan-5-one is sourced from PubChem (CID 10378504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).