triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane

C28H54O3Si2 — CID 131749898

About triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane

triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane (PubChem CID 131749898) has the molecular formula C28H54O3Si2 and a molecular weight of 494.91 g/mol. Its IUPAC name is triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane.

Molecular Properties

• Compound Name: triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane
• PubChem CID: 131749898
• Molecular Formula: C28H54O3Si2
• Molecular Weight: 494.91 g/mol
• Exact Mass: 494.36
• IUPAC Name: triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane
• SMILES: C=C=C(C)C[C@H](CC[C@@H]1O[C@@H](CCCO[Si](CC)(CC)CC)CC1=C)O[Si](CC)(CC)CC
• InChI: InChI=1S/C28H54O3Si2/c1-10-24(8)22-27(31-33(14-5,15-6)16-7)19-20-28-25(9)23-26(30-28)18-17-21-29-32(11-2,12-3)13-4/h26-28H,1,9,11-23H2,2-8H3/t26-,27-,28-/m0/s1
• InChIKey: QEUVJFJRXDXHST-KCHLEUMXSA-N
• XLogP: 8.79
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.91
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane?

The IUPAC name of triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane (CID 131749898) is triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane.

What is the SMILES notation for triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane?

The canonical SMILES for triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane is C=C=C(C)C[C@H](CC[C@@H]1O[C@@H](CCCO[Si](CC)(CC)CC)CC1=C)O[Si](CC)(CC)CC.

What is the InChIKey of triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane?

The InChIKey is QEUVJFJRXDXHST-KCHLEUMXSA-N. The full InChI is InChI=1S/C28H54O3Si2/c1-10-24(8)22-27(31-33(14-5,15-6)16-7)19-20-28-25(9)23-26(30-28)18-17-21-29-32(11-2,12-3)13-4/h26-28H,1,9,11-23H2,2-8H3/t26-,27-,28-/m0/s1.

What are the key properties of triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane?

triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane has a molecular weight of 494.91 g/mol, XLogP of 8.79, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[3-[(2S,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]propoxy]silane is sourced from PubChem (CID 131749898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).