tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane

C24H50O3Si2 — CID 101185877

About tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane

tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane (PubChem CID 101185877) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane
• PubChem CID: 101185877
• Molecular Formula: C24H50O3Si2
• Molecular Weight: 442.83 g/mol
• Exact Mass: 442.33
• IUPAC Name: tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane
• SMILES: C=C1C[C@H](CCC)O[C@H](CC(C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H50O3Si2/c1-14-15-20-16-18(2)22(27-29(12,13)24(7,8)9)21(25-20)17-19(3)26-28(10,11)23(4,5)6/h19-22H,2,14-17H2,1,3-13H3/t19?,20-,21+,22-/m0/s1
• InChIKey: KATSGTAIBHMJLW-KBRMVUAJSA-N
• XLogP: 7.69
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.83
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane?

The IUPAC name of tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane (CID 101185877) is tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane is C=C1C[C@H](CCC)O[C@H](CC(C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane?

The InChIKey is KATSGTAIBHMJLW-KBRMVUAJSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-14-15-20-16-18(2)22(27-29(12,13)24(7,8)9)21(25-20)17-19(3)26-28(10,11)23(4,5)6/h19-22H,2,14-17H2,1,3-13H3/t19?,20-,21+,22-/m0/s1.

What are the key properties of tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane?

tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane has a molecular weight of 442.83 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 101185877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).