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

C16H33IOSi — CID 10938121

IUPACtert-butyl-[(E,3S,5S)-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+/m0/s1
InChIKeyQFBSVKRPHXZAED-AMXOMPAFSA-N
MW396.43 g/mol
LogP6.54
Rot. Bonds8

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

tert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane (PubChem CID 10938121) has the molecular formula C16H33IOSi and a molecular weight of 396.43 g/mol. Its IUPAC name is tert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane
PubChem CID10938121
Molecular FormulaC16H33IOSi
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Nametert-butyl-[(E,3S,5S)-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+/m0/s1
InChIKeyQFBSVKRPHXZAED-AMXOMPAFSA-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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Related Compounds

Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
Silane, [(1-cyclohexyl-2-propenyl)oxy]trimethyl-
CID 10910863
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
(1-Cyclohexyl-2-methylprop-2-enoxy)-dimethyl-prop-2-enylsilane
CID 135079482
1-Cyclohexylprop-2-enoxy-dimethyl-prop-2-enylsilane
CID 135083685
Triethyl(((4R, 5S)-5-methylnon-1-en-4-yl)oxy)silane
CID 145865205
Triethyl(((4S, 5S)-5-methylnon-1-en-4-yl)oxy)silane
CID 145865215
tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane
CID 162396979
tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane
CID 166449030
Silane, ((2-(3-butenyl)cyclohexyl)oxy)(1,1-dimethylethyl)dimethyl-, trans-
CID 182737
Silane, (1,1-dimethylethyl)((2-(3-iodo-2-methyl-2-propenyl)cyclohexyl)oxy)dimethyl-, (1alpha,2beta(E))-
CID 6442717

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane (CID 10938121) is tert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S,5S)-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,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is QFBSVKRPHXZAED-AMXOMPAFSA-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+/m0/s1.
What are the key properties of tert-butyl-[(E,3S,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S,5S)-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,5S)-1-iodo-5-methylnon-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10938121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).