tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane

C14H27IOSi — CID 10926637

IUPACtert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC/C=C/CI
InChIInChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h8-11H,6-7,12-13H2,1-5H3/b10-8+,11-9+
InChIKeyBSHMWFQHGJNGQQ-GFULKKFKSA-N
MW366.36 g/mol
LogP5.34
Rot. Bonds7

About tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane (PubChem CID 10926637) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane
PubChem CID10926637
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Nametert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC/C=C/CI
InChIInChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h8-11H,6-7,12-13H2,1-5H3/b10-8+,11-9+
InChIKeyBSHMWFQHGJNGQQ-GFULKKFKSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-iodoocta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane (CID 10926637) is tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/CC/C=C/CI.
What is the InChIKey of tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane?
The InChIKey is BSHMWFQHGJNGQQ-GFULKKFKSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h8-11H,6-7,12-13H2,1-5H3/b10-8+,11-9+.
What are the key properties of tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.34, 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-iodoocta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 10926637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).