2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

C19H37NO4Si — CID 91930381

IUPAC2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CO[Si](C)(C)C(C)(C)C)COC2(CCCCC2)N1
InChIInChI=1S/C19H37NO4Si/c1-16(21)22-13-12-18(15-24-25(5,6)17(2,3)4)14-23-19(20-18)10-8-7-9-11-19/h20H,7-15H2,1-6H3
InChIKeyOGPGTOKWSRRKSX-UHFFFAOYSA-N
MW371.59 g/mol
LogP3.98
Rot. Bonds6

About 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (PubChem CID 91930381) has the molecular formula C19H37NO4Si and a molecular weight of 371.59 g/mol. Its IUPAC name is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
PubChem CID91930381
Molecular FormulaC19H37NO4Si
Molecular Weight371.59 g/mol
Exact Mass371.25
IUPAC Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CO[Si](C)(C)C(C)(C)C)COC2(CCCCC2)N1
InChIInChI=1S/C19H37NO4Si/c1-16(21)22-13-12-18(15-24-25(5,6)17(2,3)4)14-23-19(20-18)10-8-7-9-11-19/h20H,7-15H2,1-6H3
InChIKeyOGPGTOKWSRRKSX-UHFFFAOYSA-N
XLogP3.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-(2-((Triisopropylsilyl)oxy)ethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930388
2-(3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930400
2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
CID 138969293
Tert-butyl-[2-(3-ethyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethoxy]-dimethylsilane
CID 176436305

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (CID 91930381) is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.
What is the SMILES notation for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The canonical SMILES for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is CC(=O)OCCC1(CO[Si](C)(C)C(C)(C)C)COC2(CCCCC2)N1.
What is the InChIKey of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The InChIKey is OGPGTOKWSRRKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4Si/c1-16(21)22-13-12-18(15-24-25(5,6)17(2,3)4)14-23-19(20-18)10-8-7-9-11-19/h20H,7-15H2,1-6H3.
What are the key properties of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate has a molecular weight of 371.59 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is sourced from PubChem (CID 91930381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).