tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane

C20H37IOSi — CID 134865846

About tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane (PubChem CID 134865846) has the molecular formula C20H37IOSi and a molecular weight of 448.51 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane
• PubChem CID: 134865846
• Molecular Formula: C20H37IOSi
• Molecular Weight: 448.51 g/mol
• Exact Mass: 448.17
• IUPAC Name: tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane
• SMILES: CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C(C)/C=C(/C)I
• InChI: InChI=1S/C20H37IOSi/c1-11-19(22-23(9,10)20(6,7)8)17(4)13-15(2)12-16(3)14-18(5)21/h12-14,17,19H,11H2,1-10H3/b15-13+,16-12+,18-14-/t17-,19-/m1/s1
• InChIKey: IGPDINLMJBEHGY-AYMGAGGXSA-N
• XLogP: 7.65
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.51
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane (CID 134865846) is tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C(C)/C=C(/C)I.

What is the InChIKey of tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane?

The InChIKey is IGPDINLMJBEHGY-AYMGAGGXSA-N. The full InChI is InChI=1S/C20H37IOSi/c1-11-19(22-23(9,10)20(6,7)8)17(4)13-15(2)12-16(3)14-18(5)21/h12-14,17,19H,11H2,1-10H3/b15-13+,16-12+,18-14-/t17-,19-/m1/s1.

What are the key properties of tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane?

tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane has a molecular weight of 448.51 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134865846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).