8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione

C25H44N2O5Si2 — CID 140806205

IUPAC8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione
SMILESCC1(CCO[Si](C)(C)C(C)(C)C)C(=O)N(COCC[Si](C)(C)C)C2(COC2)c2ccc(=O)[nH]c21
InChIInChI=1S/C25H44N2O5Si2/c1-23(2,3)34(8,9)32-13-12-24(4)21-19(10-11-20(28)26-21)25(16-31-17-25)27(22(24)29)18-30-14-15-33(5,6)7/h10-11H,12-18H2,1-9H3,(H,26,28)
InChIKeyZHSHYSALKHINBU-UHFFFAOYSA-N
MW508.81 g/mol
LogP4.42
Rot. Bonds9

About 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione

8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione (PubChem CID 140806205) has the molecular formula C25H44N2O5Si2 and a molecular weight of 508.81 g/mol. Its IUPAC name is 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione.

Molecular Properties

Compound Name8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione
PubChem CID140806205
Molecular FormulaC25H44N2O5Si2
Molecular Weight508.81 g/mol
Exact Mass508.28
IUPAC Name8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione
SMILESCC1(CCO[Si](C)(C)C(C)(C)C)C(=O)N(COCC[Si](C)(C)C)C2(COC2)c2ccc(=O)[nH]c21
InChIInChI=1S/C25H44N2O5Si2/c1-23(2,3)34(8,9)32-13-12-24(4)21-19(10-11-20(28)26-21)25(16-31-17-25)27(22(24)29)18-30-14-15-33(5,6)7/h10-11H,12-18H2,1-9H3,(H,26,28)
InChIKeyZHSHYSALKHINBU-UHFFFAOYSA-N
XLogP4.42
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one
CID 140806183
(1S,8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-1-methyl-5-(2-trimethylsilylethoxymethyl)-5-azatricyclo[6.2.2.02,6]dodeca-2(6),3,9-trien-7-one
CID 135001531
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
CID 123748311
1-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10785196
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-adamantyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 142711063
6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one
CID 151313382
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-phenylbutan-1-one
CID 140502414
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 10791833
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 160835973
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 20744743

Frequently Asked Questions

What is the IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione?
The IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione (CID 140806205) is 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione.
What is the SMILES notation for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione?
The canonical SMILES for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione is CC1(CCO[Si](C)(C)C(C)(C)C)C(=O)N(COCC[Si](C)(C)C)C2(COC2)c2ccc(=O)[nH]c21.
What is the InChIKey of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione?
The InChIKey is ZHSHYSALKHINBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O5Si2/c1-23(2,3)34(8,9)32-13-12-24(4)21-19(10-11-20(28)26-21)25(16-31-17-25)27(22(24)29)18-30-14-15-33(5,6)7/h10-11H,12-18H2,1-9H3,(H,26,28).
What are the key properties of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione?
8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione has a molecular weight of 508.81 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione is sourced from PubChem (CID 140806205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).