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

C27H43NO5Si2 — CID 59843788

IUPAC(4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-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(C)(C)C
InChIInChI=1S/C27H43NO5Si2/c1-25(2,3)34(7,8)32-23-21(29)16-17-27(24(23)33-35(9,10)26(4,5)6)18-22(30)28(27)31-19-20-14-12-11-13-15-20/h11-17,23-24H,18-19H2,1-10H3/t23-,24-,27+/m1/s1
InChIKeyTUVJPYXOVLSKJX-OASJLCFRSA-N
MW517.82 g/mol
LogP6.01
Rot. Bonds7

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

(4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione (PubChem CID 59843788) has the molecular formula C27H43NO5Si2 and a molecular weight of 517.82 g/mol. Its IUPAC name is (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione.

Molecular Properties

Compound Name(4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione
PubChem CID59843788
Molecular FormulaC27H43NO5Si2
Molecular Weight517.82 g/mol
Exact Mass517.27
IUPAC Name(4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-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(C)(C)C
InChIInChI=1S/C27H43NO5Si2/c1-25(2,3)34(7,8)32-23-21(29)16-17-27(24(23)33-35(9,10)26(4,5)6)18-22(30)28(27)31-19-20-14-12-11-13-15-20/h11-17,23-24H,18-19H2,1-10H3/t23-,24-,27+/m1/s1
InChIKeyTUVJPYXOVLSKJX-OASJLCFRSA-N
XLogP6.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.82
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The IUPAC name of (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione (CID 59843788) is (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione.
What is the SMILES notation for (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The canonical SMILES for (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-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(C)(C)C.
What is the InChIKey of (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The InChIKey is TUVJPYXOVLSKJX-OASJLCFRSA-N. The full InChI is InChI=1S/C27H43NO5Si2/c1-25(2,3)34(7,8)32-23-21(29)16-17-27(24(23)33-35(9,10)26(4,5)6)18-22(30)28(27)31-19-20-14-12-11-13-15-20/h11-17,23-24H,18-19H2,1-10H3/t23-,24-,27+/m1/s1.
What are the key properties of (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
(4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione has a molecular weight of 517.82 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione is sourced from PubChem (CID 59843788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).