[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate

C25H52O6Si2 — CID 135006097

About [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate

[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate (PubChem CID 135006097) has the molecular formula C25H52O6Si2 and a molecular weight of 504.86 g/mol. Its IUPAC name is [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate.

Molecular Properties

• Compound Name: [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate
• PubChem CID: 135006097
• Molecular Formula: C25H52O6Si2
• Molecular Weight: 504.86 g/mol
• Exact Mass: 504.33
• IUPAC Name: [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate
• SMILES: CC[C@H](C)CC(=O)OC1C(C)OC(OC)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H52O6Si2/c1-15-17(2)16-19(26)29-20-18(3)28-23(27-10)22(31-33(13,14)25(7,8)9)21(20)30-32(11,12)24(4,5)6/h17-18,20-23H,15-16H2,1-14H3/t17-,18?,20?,21?,22?,23?/m0/s1
• InChIKey: DUXUGXVECMCZDW-AZDJVCKCSA-N
• XLogP: 6.51
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.86
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate?

The IUPAC name of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate (CID 135006097) is [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate.

What is the SMILES notation for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate?

The canonical SMILES for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate is CC[C@H](C)CC(=O)OC1C(C)OC(OC)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate?

The InChIKey is DUXUGXVECMCZDW-AZDJVCKCSA-N. The full InChI is InChI=1S/C25H52O6Si2/c1-15-17(2)16-19(26)29-20-18(3)28-23(27-10)22(31-33(13,14)25(7,8)9)21(20)30-32(11,12)24(4,5)6/h17-18,20-23H,15-16H2,1-14H3/t17-,18?,20?,21?,22?,23?/m0/s1.

What are the key properties of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate?

[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate has a molecular weight of 504.86 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate is sourced from PubChem (CID 135006097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).