tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane

C16H31IOSi — CID 10644330

IUPACtert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CI
InChIInChI=1S/C16H31IOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+
InChIKeyUUNCGLHDAMHNFQ-QYFSLLALSA-N
MW394.41 g/mol
LogP6.12
Rot. Bonds7

About tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane (PubChem CID 10644330) has the molecular formula C16H31IOSi and a molecular weight of 394.41 g/mol. Its IUPAC name is tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
PubChem CID10644330
Molecular FormulaC16H31IOSi
Molecular Weight394.41 g/mol
Exact Mass394.12
IUPAC Nametert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CI
InChIInChI=1S/C16H31IOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+
InChIKeyUUNCGLHDAMHNFQ-QYFSLLALSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane (CID 10644330) is tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane is C/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CI.
What is the InChIKey of tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The InChIKey is UUNCGLHDAMHNFQ-QYFSLLALSA-N. The full InChI is InChI=1S/C16H31IOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11H,8-9,12-13H2,1-7H3/b14-11+,15-10+.
What are the key properties of tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane has a molecular weight of 394.41 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 10644330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).