(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one

C23H42O5Si2 — CID 23260562

About (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one

(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one (PubChem CID 23260562) has the molecular formula C23H42O5Si2 and a molecular weight of 454.76 g/mol. Its IUPAC name is (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one.

Molecular Properties

• Compound Name: (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one
• PubChem CID: 23260562
• Molecular Formula: C23H42O5Si2
• Molecular Weight: 454.76 g/mol
• Exact Mass: 454.26
• IUPAC Name: (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one
• SMILES: COC1(OC)C=CC(=O)C2=C1C[C@H](C(C)O[Si](C)(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H42O5Si2/c1-16(27-29(7,8)9)17-14-18-21(19(24)12-13-23(18,25-5)26-6)20(15-17)28-30(10,11)22(2,3)4/h12-13,16-17,20H,14-15H2,1-11H3/t16?,17-,20+/m0/s1
• InChIKey: ZEJIUNZPNJTYNV-KKOVZHJLSA-N
• XLogP: 5.45
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.76
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one?

The IUPAC name of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one (CID 23260562) is (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one.

What is the SMILES notation for (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one?

The canonical SMILES for (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one is COC1(OC)C=CC(=O)C2=C1C[C@H](C(C)O[Si](C)(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one?

The InChIKey is ZEJIUNZPNJTYNV-KKOVZHJLSA-N. The full InChI is InChI=1S/C23H42O5Si2/c1-16(27-29(7,8)9)17-14-18-21(19(24)12-13-23(18,25-5)26-6)20(15-17)28-30(10,11)22(2,3)4/h12-13,16-17,20H,14-15H2,1-11H3/t16?,17-,20+/m0/s1.

What are the key properties of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one?

(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one has a molecular weight of 454.76 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxy-6-(1-trimethylsilyloxyethyl)-5,6,7,8-tetrahydronaphthalen-1-one is sourced from PubChem (CID 23260562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).