[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane

C30H44O3Si — CID 14683914

About [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane

[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane (PubChem CID 14683914) has the molecular formula C30H44O3Si and a molecular weight of 480.77 g/mol. Its IUPAC name is [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
• PubChem CID: 14683914
• Molecular Formula: C30H44O3Si
• Molecular Weight: 480.77 g/mol
• Exact Mass: 480.31
• IUPAC Name: [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
• SMILES: C=C[C@H](C)[C@@H]1OC(C)(C)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
• InChI: InChI=1S/C30H44O3Si/c1-10-22(2)27-24(4)28(33-30(8,9)32-27)23(3)21-31-34(29(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h10-20,22-24,27-28H,1,21H2,2-9H3/t22-,23+,24-,27-,28+/m0/s1
• InChIKey: SVTGABKUYLSLLR-KZEXJIRGSA-N
• XLogP: 6.18
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.77
LogP ≤ 5	6.18
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 [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?

The IUPAC name of [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane (CID 14683914) is [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane.

What is the SMILES notation for [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?

The canonical SMILES for [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane is C=C[C@H](C)[C@@H]1OC(C)(C)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C.

What is the InChIKey of [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?

The InChIKey is SVTGABKUYLSLLR-KZEXJIRGSA-N. The full InChI is InChI=1S/C30H44O3Si/c1-10-22(2)27-24(4)28(33-30(8,9)32-27)23(3)21-31-34(29(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h10-20,22-24,27-28H,1,21H2,2-9H3/t22-,23+,24-,27-,28+/m0/s1.

What are the key properties of [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane?

[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane has a molecular weight of 480.77 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 14683914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).