triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane

C27H53IO4Si2 — CID 57327492

About triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane

triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane (PubChem CID 57327492) has the molecular formula C27H53IO4Si2 and a molecular weight of 624.79 g/mol. Its IUPAC name is triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane.

Molecular Properties

• Compound Name: triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane
• PubChem CID: 57327492
• Molecular Formula: C27H53IO4Si2
• Molecular Weight: 624.79 g/mol
• Exact Mass: 624.25
• IUPAC Name: triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane
• SMILES: C=CC(CC[C@]1(OC)O[C@H](CC(=C)CCCI)CC[C@@]1(C)O[Si](C)(C)C)O[Si](CC)(CC)CC
• InChI: InChI=1S/C27H53IO4Si2/c1-11-24(31-34(12-2,13-3)14-4)18-20-27(29-7)26(6,32-33(8,9)10)19-17-25(30-27)22-23(5)16-15-21-28/h11,24-25H,1,5,12-22H2,2-4,6-10H3/t24?,25-,26+,27-/m0/s1
• InChIKey: RMXIBNZYYDRZDX-ZAEYVGPMSA-N
• XLogP: 8.64
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.79
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane?

The IUPAC name of triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane (CID 57327492) is triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane.

What is the SMILES notation for triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane?

The canonical SMILES for triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane is C=CC(CC[C@]1(OC)O[C@H](CC(=C)CCCI)CC[C@@]1(C)O[Si](C)(C)C)O[Si](CC)(CC)CC.

What is the InChIKey of triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane?

The InChIKey is RMXIBNZYYDRZDX-ZAEYVGPMSA-N. The full InChI is InChI=1S/C27H53IO4Si2/c1-11-24(31-34(12-2,13-3)14-4)18-20-27(29-7)26(6,32-33(8,9)10)19-17-25(30-27)22-23(5)16-15-21-28/h11,24-25H,1,5,12-22H2,2-4,6-10H3/t24?,25-,26+,27-/m0/s1.

What are the key properties of triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane?

triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane has a molecular weight of 624.79 g/mol, XLogP of 8.64, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane is sourced from PubChem (CID 57327492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).