tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane

C16H31IOSi — CID 6442717

IUPACtert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane
SMILESC/C(=C\I)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31IOSi/c1-13(12-17)11-14-9-7-8-10-15(14)18-19(5,6)16(2,3)4/h12,14-15H,7-11H2,1-6H3/b13-12+/t14-,15+/m1/s1
InChIKeyFTIDVYDFWVKVEV-WCVFXIOZSA-N
MW394.41 g/mol
LogP6.30
Rot. Bonds4

About tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane (PubChem CID 6442717) has the molecular formula C16H31IOSi and a molecular weight of 394.41 g/mol. Its IUPAC name is tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane
PubChem CID6442717
Molecular FormulaC16H31IOSi
Molecular Weight394.41 g/mol
Exact Mass394.12
IUPAC Nametert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane
SMILESC/C(=C\I)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31IOSi/c1-13(12-17)11-14-9-7-8-10-15(14)18-19(5,6)16(2,3)4/h12,14-15H,7-11H2,1-6H3/b13-12+/t14-,15+/m1/s1
InChIKeyFTIDVYDFWVKVEV-WCVFXIOZSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 56.30
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-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane (CID 6442717) is tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane is C/C(=C\I)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane?
The InChIKey is FTIDVYDFWVKVEV-WCVFXIOZSA-N. The full InChI is InChI=1S/C16H31IOSi/c1-13(12-17)11-14-9-7-8-10-15(14)18-19(5,6)16(2,3)4/h12,14-15H,7-11H2,1-6H3/b13-12+/t14-,15+/m1/s1.
What are the key properties of tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane has a molecular weight of 394.41 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R)-2-[(E)-3-iodo-2-methylprop-2-enyl]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 6442717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).