(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione

C24H37NO5Si2 — CID 58999788

IUPAC(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C24H37NO5Si2/c1-23(2,3)32(7,8)29-21-19(26)14-15-24(22(21)30-31(4,5)6)16-20(27)25(24)28-17-18-12-10-9-11-13-18/h9-15,21-22H,16-17H2,1-8H3/t21-,22-,24+/m1/s1
InChIKeyAHDVHUAOLQFJSV-AKFKNWHVSA-N
MW475.73 g/mol
LogP4.84
Rot. Bonds7

About (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione

(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione (PubChem CID 58999788) has the molecular formula C24H37NO5Si2 and a molecular weight of 475.73 g/mol. Its IUPAC name is (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione.

Molecular Properties

Compound Name(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione
PubChem CID58999788
Molecular FormulaC24H37NO5Si2
Molecular Weight475.73 g/mol
Exact Mass475.22
IUPAC Name(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C24H37NO5Si2/c1-23(2,3)32(7,8)29-21-19(26)14-15-24(22(21)30-31(4,5)6)16-20(27)25(24)28-17-18-12-10-9-11-13-18/h9-15,21-22H,16-17H2,1-8H3/t21-,22-,24+/m1/s1
InChIKeyAHDVHUAOLQFJSV-AKFKNWHVSA-N
XLogP4.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.73
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The IUPAC name of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione (CID 58999788) is (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione.
What is the SMILES notation for (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The canonical SMILES for (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The InChIKey is AHDVHUAOLQFJSV-AKFKNWHVSA-N. The full InChI is InChI=1S/C24H37NO5Si2/c1-23(2,3)32(7,8)29-21-19(26)14-15-24(22(21)30-31(4,5)6)16-20(27)25(24)28-17-18-12-10-9-11-13-18/h9-15,21-22H,16-17H2,1-8H3/t21-,22-,24+/m1/s1.
What are the key properties of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione has a molecular weight of 475.73 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione is sourced from PubChem (CID 58999788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).