(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

C19H38O3Si2 — CID 15867979

About (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (PubChem CID 15867979) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.

Molecular Properties

• Compound Name: (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
• PubChem CID: 15867979
• Molecular Formula: C19H38O3Si2
• Molecular Weight: 370.68 g/mol
• Exact Mass: 370.24
• IUPAC Name: (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15,17H,13-14H2,1-10H3/t15-,17-/m0/s1
• InChIKey: HTCPPCIDPSBRHS-RDJZCZTQSA-N
• XLogP: 5.54
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.68
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?

The IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (CID 15867979) is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.

What is the SMILES notation for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?

The canonical SMILES for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?

The InChIKey is HTCPPCIDPSBRHS-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15,17H,13-14H2,1-10H3/t15-,17-/m0/s1.

What are the key properties of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one has a molecular weight of 370.68 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 15867979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).