[(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane

C14H27IOSi — CID 163844664

IUPAC[(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane
SMILESC/C=C/CC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h7-9,12-13H,10-11H2,1-6H3/b8-7+,12-9+
InChIKeyOPBQGVUZSYLRNE-ANKZSMJWSA-N
MW366.36 g/mol
LogP5.54
Rot. Bonds7

About [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane

[(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane (PubChem CID 163844664) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane
PubChem CID163844664
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name[(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane
SMILESC/C=C/CC(C)(C)C(C/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h7-9,12-13H,10-11H2,1-6H3/b8-7+,12-9+
InChIKeyOPBQGVUZSYLRNE-ANKZSMJWSA-N
XLogP5.54
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 ≤ 55.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane?
The IUPAC name of [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane (CID 163844664) is [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane is C/C=C/CC(C)(C)C(C/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane?
The InChIKey is OPBQGVUZSYLRNE-ANKZSMJWSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h7-9,12-13H,10-11H2,1-6H3/b8-7+,12-9+.
What are the key properties of [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane?
[(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,7E)-1-iodo-5,5-dimethylnona-1,7-dien-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 163844664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).