tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane

C15H27IOSi — CID 25233351

IUPACtert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane
SMILESC/C(=C/C#CCCCI)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IOSi/c1-14(11-9-7-8-10-12-16)13-17-18(5,6)15(2,3)4/h11H,8,10,12-13H2,1-6H3/b14-11-
InChIKeyZAWPJZFLKNEAHX-KAMYIIQDSA-N
MW378.37 g/mol
LogP5.17
Rot. Bonds5

About tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane

tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane (PubChem CID 25233351) has the molecular formula C15H27IOSi and a molecular weight of 378.37 g/mol. Its IUPAC name is tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane
PubChem CID25233351
Molecular FormulaC15H27IOSi
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC Nametert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane
SMILESC/C(=C/C#CCCCI)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IOSi/c1-14(11-9-7-8-10-12-16)13-17-18(5,6)15(2,3)4/h11H,8,10,12-13H2,1-6H3/b14-11-
InChIKeyZAWPJZFLKNEAHX-KAMYIIQDSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.37
LogP ≤ 55.17
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane (CID 25233351) is tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane is C/C(=C/C#CCCCI)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane?
The InChIKey is ZAWPJZFLKNEAHX-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H27IOSi/c1-14(11-9-7-8-10-12-16)13-17-18(5,6)15(2,3)4/h11H,8,10,12-13H2,1-6H3/b14-11-.
What are the key properties of tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane?
tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane has a molecular weight of 378.37 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 25233351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).