[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane

C14H29IOSi — CID 152749210

IUPAC[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
SMILESCCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3/b12-9+
InChIKeyXRXZWYJHWFSWGO-FMIVXFBMSA-N
MW368.38 g/mol
LogP5.76
Rot. Bonds8

About [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane

[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane (PubChem CID 152749210) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
PubChem CID152749210
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
SMILESCCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3/b12-9+
InChIKeyXRXZWYJHWFSWGO-FMIVXFBMSA-N
XLogP5.76
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 ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane (CID 152749210) is [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane is CCCCC(C)(C)C(C/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is XRXZWYJHWFSWGO-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3/b12-9+.
What are the key properties of [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane?
[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 152749210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).