(2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one

C30H66O4Si3 — CID 162397163

About (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one

(2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one (PubChem CID 162397163) has the molecular formula C30H66O4Si3 and a molecular weight of 575.11 g/mol. Its IUPAC name is (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one.

Molecular Properties

• Compound Name: (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one
• PubChem CID: 162397163
• Molecular Formula: C30H66O4Si3
• Molecular Weight: 575.11 g/mol
• Exact Mass: 574.43
• IUPAC Name: (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one
• SMILES: CC[C@H](O[Si](CC)(CC)CC)C(C)C(O)C(C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[Si](CC)(CC)CC
• InChI: InChI=1S/C30H66O4Si3/c1-16-26(33-37(20-5,21-6)22-7)23(8)27(31)24(9)28(32)29(34-35(14,15)30(11,12)13)25(10)36(17-2,18-3)19-4/h23-27,29,31H,16-22H2,1-15H3/t23?,24?,25-,26-,27?,29+/m0/s1
• InChIKey: JGEYQLAIXFQGSP-BNUMHPNLSA-N
• XLogP: 9.28
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.11
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one?

The IUPAC name of (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one (CID 162397163) is (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one.

What is the SMILES notation for (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one?

The canonical SMILES for (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one is CC[C@H](O[Si](CC)(CC)CC)C(C)C(O)C(C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[Si](CC)(CC)CC.

What is the InChIKey of (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one?

The InChIKey is JGEYQLAIXFQGSP-BNUMHPNLSA-N. The full InChI is InChI=1S/C30H66O4Si3/c1-16-26(33-37(20-5,21-6)22-7)23(8)27(31)24(9)28(32)29(34-35(14,15)30(11,12)13)25(10)36(17-2,18-3)19-4/h23-27,29,31H,16-22H2,1-15H3/t23?,24?,25-,26-,27?,29+/m0/s1.

What are the key properties of (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one?

(2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one has a molecular weight of 575.11 g/mol, XLogP of 9.28, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one is sourced from PubChem (CID 162397163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).