triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane

C21H41IOSi — CID 122211712

About triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane

triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane (PubChem CID 122211712) has the molecular formula C21H41IOSi and a molecular weight of 464.55 g/mol. Its IUPAC name is triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane.

Molecular Properties

• Compound Name: triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane
• PubChem CID: 122211712
• Molecular Formula: C21H41IOSi
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.20
• IUPAC Name: triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane
• SMILES: CCC[C@@H](C)/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C/CCI
• InChI: InChI=1S/C21H41IOSi/c1-8-14-18(5)17-20(7)21(19(6)15-12-13-16-22)23-24(9-2,10-3)11-4/h12,15,17-19,21H,8-11,13-14,16H2,1-7H3/b15-12+,20-17+/t18-,19-,21-/m1/s1
• InChIKey: OIWTZZLGNWCFKJ-UZBYNTMUSA-N
• XLogP: 7.78
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane?

The IUPAC name of triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane (CID 122211712) is triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane.

What is the SMILES notation for triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane?

The canonical SMILES for triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane is CCC[C@@H](C)/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C/CCI.

What is the InChIKey of triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane?

The InChIKey is OIWTZZLGNWCFKJ-UZBYNTMUSA-N. The full InChI is InChI=1S/C21H41IOSi/c1-8-14-18(5)17-20(7)21(19(6)15-12-13-16-22)23-24(9-2,10-3)11-4/h12,15,17-19,21H,8-11,13-14,16H2,1-7H3/b15-12+,20-17+/t18-,19-,21-/m1/s1.

What are the key properties of triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane?

triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane has a molecular weight of 464.55 g/mol, XLogP of 7.78, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane is sourced from PubChem (CID 122211712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).