tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane

C14H29IOSi — CID 10451649

IUPACtert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCC/C=C/I
InChIInChI=1S/C14H29IOSi/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h10,12H,6-9,11,13H2,1-5H3/b12-10+
InChIKeyFVOMQJVBBWVOKD-ZRDIBKRKSA-N
MW368.38 g/mol
LogP5.91
Rot. Bonds8

About tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane

tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane (PubChem CID 10451649) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane
PubChem CID10451649
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Nametert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCC/C=C/I
InChIInChI=1S/C14H29IOSi/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h10,12H,6-9,11,13H2,1-5H3/b12-10+
InChIKeyFVOMQJVBBWVOKD-ZRDIBKRKSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane (CID 10451649) is tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCC/C=C/I.
What is the InChIKey of tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane?
The InChIKey is FVOMQJVBBWVOKD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h10,12H,6-9,11,13H2,1-5H3/b12-10+.
What are the key properties of tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane?
tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane is sourced from PubChem (CID 10451649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).