(4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol

C24H52O4Si2 — CID 162404500

About (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol

(4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol (PubChem CID 162404500) has the molecular formula C24H52O4Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol.

Molecular Properties

• Compound Name: (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol
• PubChem CID: 162404500
• Molecular Formula: C24H52O4Si2
• Molecular Weight: 460.85 g/mol
• Exact Mass: 460.34
• IUPAC Name: (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol
• SMILES: C=C(C[C@@H](O)C[C@H](OCOC)[C@@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C24H52O4Si2/c1-19(16-28-30(11,12)24(4,5)6)13-21(3)23(27-18-26-7)15-22(25)14-20(2)17-29(8,9)10/h19,21-23,25H,2,13-18H2,1,3-12H3/t19-,21-,22+,23-/m0/s1
• InChIKey: CWUYVQYWWSTFBW-SNJCGAMXSA-N
• XLogP: 6.70
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.85
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol?

The IUPAC name of (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol (CID 162404500) is (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol.

What is the SMILES notation for (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol?

The canonical SMILES for (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol is C=C(C[C@@H](O)C[C@H](OCOC)[C@@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.

What is the InChIKey of (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol?

The InChIKey is CWUYVQYWWSTFBW-SNJCGAMXSA-N. The full InChI is InChI=1S/C24H52O4Si2/c1-19(16-28-30(11,12)24(4,5)6)13-21(3)23(27-18-26-7)15-22(25)14-20(2)17-29(8,9)10/h19,21-23,25H,2,13-18H2,1,3-12H3/t19-,21-,22+,23-/m0/s1.

What are the key properties of (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol?

(4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol has a molecular weight of 460.85 g/mol, XLogP of 6.70, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol is sourced from PubChem (CID 162404500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).