trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane

C23H46O3Si2 — CID 10320291

About trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane

trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane (PubChem CID 10320291) has the molecular formula C23H46O3Si2 and a molecular weight of 426.79 g/mol. Its IUPAC name is trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane.

Molecular Properties

• Compound Name: trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane
• PubChem CID: 10320291
• Molecular Formula: C23H46O3Si2
• Molecular Weight: 426.79 g/mol
• Exact Mass: 426.30
• IUPAC Name: trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane
• SMILES: C=CC/C(=C/[Si](C)(C)C)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C
• InChI: InChI=1S/C23H46O3Si2/c1-10-11-21(17-28(7,8)9)23-19(2)12-13-22(26-23)20(3)16-25-18-24-14-15-27(4,5)6/h10,17,19-20,22-23H,1,11-16,18H2,2-9H3/b21-17-/t19-,20-,22+,23+/m0/s1
• InChIKey: AKEVJFPEKMJMLZ-PKNHAWMRSA-N
• XLogP: 6.51
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.79
LogP ≤ 5	6.51
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane?

The IUPAC name of trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane (CID 10320291) is trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane.

What is the SMILES notation for trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane?

The canonical SMILES for trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane is C=CC/C(=C/[Si](C)(C)C)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C.

What is the InChIKey of trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane?

The InChIKey is AKEVJFPEKMJMLZ-PKNHAWMRSA-N. The full InChI is InChI=1S/C23H46O3Si2/c1-10-11-21(17-28(7,8)9)23-19(2)12-13-22(26-23)20(3)16-25-18-24-14-15-27(4,5)6/h10,17,19-20,22-23H,1,11-16,18H2,2-9H3/b21-17-/t19-,20-,22+,23+/m0/s1.

What are the key properties of trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane?

trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane has a molecular weight of 426.79 g/mol, XLogP of 6.51, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane is sourced from PubChem (CID 10320291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).