[(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol

C25H42O5Si — CID 24812879

About [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol

[(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol (PubChem CID 24812879) has the molecular formula C25H42O5Si and a molecular weight of 450.69 g/mol. Its IUPAC name is [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol.

Molecular Properties

• Compound Name: [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol
• PubChem CID: 24812879
• Molecular Formula: C25H42O5Si
• Molecular Weight: 450.69 g/mol
• Exact Mass: 450.28
• IUPAC Name: [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol
• SMILES: COc1ccc(CO[C@@H]2CC/C=C(/C)C[C@H](CO)O[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C25H42O5Si/c1-19-9-8-10-23(28-17-20-11-13-21(27-5)14-12-20)24(30-22(15-19)16-26)18-29-31(6,7)25(2,3)4/h9,11-14,22-24,26H,8,10,15-18H2,1-7H3/b19-9-/t22-,23-,24-/m1/s1
• InChIKey: IKJUEZXCJGTOGW-KPOKSBCLSA-N
• XLogP: 5.48
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.69
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol?

The IUPAC name of [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol (CID 24812879) is [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol.

What is the SMILES notation for [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol?

The canonical SMILES for [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol is COc1ccc(CO[C@@H]2CC/C=C(/C)C[C@H](CO)O[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol?

The InChIKey is IKJUEZXCJGTOGW-KPOKSBCLSA-N. The full InChI is InChI=1S/C25H42O5Si/c1-19-9-8-10-23(28-17-20-11-13-21(27-5)14-12-20)24(30-22(15-19)16-26)18-29-31(6,7)25(2,3)4/h9,11-14,22-24,26H,8,10,15-18H2,1-7H3/b19-9-/t22-,23-,24-/m1/s1.

What are the key properties of [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol?

[(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol has a molecular weight of 450.69 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol is sourced from PubChem (CID 24812879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).