triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane

C26H52O4Si3 — CID 102311845

About triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane

triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane (PubChem CID 102311845) has the molecular formula C26H52O4Si3 and a molecular weight of 512.96 g/mol. Its IUPAC name is triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane.

Molecular Properties

• Compound Name: triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
• PubChem CID: 102311845
• Molecular Formula: C26H52O4Si3
• Molecular Weight: 512.96 g/mol
• Exact Mass: 512.32
• IUPAC Name: triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
• SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)/C(=C/C=C/[Si](C)(C)C)O[C@@]12CCCCO2
• InChI: InChI=1S/C26H52O4Si3/c1-10-32(11-2,12-3)29-24-23(19-18-22-31(7,8)9)28-26(20-16-17-21-27-26)25(24)30-33(13-4,14-5)15-6/h18-19,22,24-25H,10-17,20-21H2,1-9H3/b22-18+,23-19-/t24-,25+,26-/m0/s1
• InChIKey: GKVRIAYIJXNWCX-HPFKGGNXSA-N
• XLogP: 8.01
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.96
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?

The IUPAC name of triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane (CID 102311845) is triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane.

What is the SMILES notation for triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?

The canonical SMILES for triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane is CC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)/C(=C/C=C/[Si](C)(C)C)O[C@@]12CCCCO2.

What is the InChIKey of triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?

The InChIKey is GKVRIAYIJXNWCX-HPFKGGNXSA-N. The full InChI is InChI=1S/C26H52O4Si3/c1-10-32(11-2,12-3)29-24-23(19-18-22-31(7,8)9)28-26(20-16-17-21-27-26)25(24)30-33(13-4,14-5)15-6/h18-19,22,24-25H,10-17,20-21H2,1-9H3/b22-18+,23-19-/t24-,25+,26-/m0/s1.

What are the key properties of triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?

triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane has a molecular weight of 512.96 g/mol, XLogP of 8.01, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane is sourced from PubChem (CID 102311845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).