[(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane

C22H45IO3Si — CID 101356095

About [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane

[(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101356095) has the molecular formula C22H45IO3Si and a molecular weight of 512.59 g/mol. Its IUPAC name is [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 101356095
• Molecular Formula: C22H45IO3Si
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.22
• IUPAC Name: [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane
• SMILES: CC[C@H](C)[C@@H](OCOC)[C@@H](C)[C@H](C/C=C/I)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C22H45IO3Si/c1-11-19(8)22(25-15-24-10)20(9)21(13-12-14-23)26-27(16(2)3,17(4)5)18(6)7/h12,14,16-22H,11,13,15H2,1-10H3/b14-12+/t19-,20-,21-,22+/m0/s1
• InChIKey: SKAMGYATJHRNEQ-IDKITSOMSA-N
• XLogP: 7.56
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane (CID 101356095) is [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane is CC[C@H](C)[C@@H](OCOC)[C@@H](C)[C@H](C/C=C/I)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is SKAMGYATJHRNEQ-IDKITSOMSA-N. The full InChI is InChI=1S/C22H45IO3Si/c1-11-19(8)22(25-15-24-10)20(9)21(13-12-14-23)26-27(16(2)3,17(4)5)18(6)7/h12,14,16-22H,11,13,15H2,1-10H3/b14-12+/t19-,20-,21-,22+/m0/s1.

What are the key properties of [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane?

[(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 512.59 g/mol, XLogP of 7.56, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101356095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).