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

C24H37NO5Si2 — CID 89323704

IUPAC(4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione
SMILESCC(C)(C[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C)[Si](C)(C)O
InChIInChI=1S/C24H37NO5Si2/c1-23(2,32(6,7)28)15-19-20(26)13-14-24(22(19)30-31(3,4)5)16-21(27)25(24)29-17-18-11-9-8-10-12-18/h8-14,19,22,28H,15-17H2,1-7H3/t19-,22-,24+/m1/s1
InChIKeyPQBPQAVNZYYPLO-CKUXNOBLSA-N
MW475.73 g/mol
LogP4.43
Rot. Bonds8

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

(4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione (PubChem CID 89323704) has the molecular formula C24H37NO5Si2 and a molecular weight of 475.73 g/mol. Its IUPAC name is (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione.

Molecular Properties

Compound Name(4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione
PubChem CID89323704
Molecular FormulaC24H37NO5Si2
Molecular Weight475.73 g/mol
Exact Mass475.22
IUPAC Name(4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione
SMILESCC(C)(C[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C)[Si](C)(C)O
InChIInChI=1S/C24H37NO5Si2/c1-23(2,32(6,7)28)15-19-20(26)13-14-24(22(19)30-31(3,4)5)16-21(27)25(24)29-17-18-11-9-8-10-12-18/h8-14,19,22,28H,15-17H2,1-7H3/t19-,22-,24+/m1/s1
InChIKeyPQBPQAVNZYYPLO-CKUXNOBLSA-N
XLogP4.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.73
LogP ≤ 54.43
H-Bond Donors ≤ 51
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,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The IUPAC name of (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione (CID 89323704) is (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione.
What is the SMILES notation for (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The canonical SMILES for (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione is CC(C)(C[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C)[Si](C)(C)O.
What is the InChIKey of (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The InChIKey is PQBPQAVNZYYPLO-CKUXNOBLSA-N. The full InChI is InChI=1S/C24H37NO5Si2/c1-23(2,32(6,7)28)15-19-20(26)13-14-24(22(19)30-31(3,4)5)16-21(27)25(24)29-17-18-11-9-8-10-12-18/h8-14,19,22,28H,15-17H2,1-7H3/t19-,22-,24+/m1/s1.
What are the key properties of (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
(4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-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 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-ene-2,7-dione is sourced from PubChem (CID 89323704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).