tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane

C16H33IOSi — CID 15689554

IUPACtert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane
SMILESCCCC[C@@H](C)C[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33IOSi/c1-8-9-10-14(2)13-15(11-12-17)18-19(6,7)16(3,4)5/h11-12,14-15H,8-10,13H2,1-7H3/b12-11+/t14-,15-/m1/s1
InChIKeyQFBSVKRPHXZAED-KPWZGGAESA-N
MW396.43 g/mol
LogP6.54
Rot. Bonds8

About tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane (PubChem CID 15689554) has the molecular formula C16H33IOSi and a molecular weight of 396.43 g/mol. Its IUPAC name is tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane
PubChem CID15689554
Molecular FormulaC16H33IOSi
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Nametert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane
SMILESCCCC[C@@H](C)C[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33IOSi/c1-8-9-10-14(2)13-15(11-12-17)18-19(6,7)16(3,4)5/h11-12,14-15H,8-10,13H2,1-7H3/b12-11+/t14-,15-/m1/s1
InChIKeyQFBSVKRPHXZAED-KPWZGGAESA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.54
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane (CID 15689554) is tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane is CCCC[C@@H](C)C[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is QFBSVKRPHXZAED-KPWZGGAESA-N. The full InChI is InChI=1S/C16H33IOSi/c1-8-9-10-14(2)13-15(11-12-17)18-19(6,7)16(3,4)5/h11-12,14-15H,8-10,13H2,1-7H3/b12-11+/t14-,15-/m1/s1.
What are the key properties of tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 396.43 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S,5R)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 15689554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).