(5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one

C32H44O7Si — CID 53360794

About (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one

(5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one (PubChem CID 53360794) has the molecular formula C32H44O7Si and a molecular weight of 568.78 g/mol. Its IUPAC name is (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
• PubChem CID: 53360794
• Molecular Formula: C32H44O7Si
• Molecular Weight: 568.78 g/mol
• Exact Mass: 568.29
• IUPAC Name: (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
• SMILES: COC1CC[C@@](C)([C@H]2CC[C@@]3(COC(=O)O3)[C@@H](CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
• InChI: InChI=1S/C32H44O7Si/c1-30(2,3)40(24-13-8-6-9-14-24,25-15-10-7-11-16-25)36-22-12-17-27-32(23-35-29(33)39-32)21-18-26(37-27)31(4)20-19-28(34-5)38-31/h6-11,13-16,26-28H,12,17-23H2,1-5H3/t26-,27-,28?,31+,32-/m1/s1
• InChIKey: SOPKVLVHJFSNRE-LPSNSGITSA-N
• XLogP: 5.34
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.78
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?

The IUPAC name of (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one (CID 53360794) is (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one.

What is the SMILES notation for (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?

The canonical SMILES for (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one is COC1CC[C@@](C)([C@H]2CC[C@@]3(COC(=O)O3)[C@@H](CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.

What is the InChIKey of (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?

The InChIKey is SOPKVLVHJFSNRE-LPSNSGITSA-N. The full InChI is InChI=1S/C32H44O7Si/c1-30(2,3)40(24-13-8-6-9-14-24,25-15-10-7-11-16-25)36-22-12-17-27-32(23-35-29(33)39-32)21-18-26(37-27)31(4)20-19-28(34-5)38-31/h6-11,13-16,26-28H,12,17-23H2,1-5H3/t26-,27-,28?,31+,32-/m1/s1.

What are the key properties of (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?

(5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one has a molecular weight of 568.78 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 53360794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).