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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Related Compounds

tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
CID 11021914
(1-Cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
CID 44518239
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
CID 135000775
(1-Cyclohexyl-2-methylprop-2-enoxy)-dimethyl-prop-2-enylsilane
CID 135079482
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2-propenyl)cyclohexyl)oxy)-, trans-
CID 182723
Silane, ((2-(3-butenyl)cyclohexyl)oxy)(1,1-dimethylethyl)dimethyl-, trans-
CID 182737
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2-butenyl)cyclohexyl)oxy)-, (1alpha,2beta(E))-
CID 6442720
tert-butyl-[(1S,2S,3Z)-2-(iodomethyl)-3-[iodo(trimethylsilyl)methylidene]cyclohexyl]oxy-dimethylsilane
CID 11734445
tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane
CID 101186824
(1E,3S)-1-Iodo-3-(tert-butyldimethylsiloxy)-3-cyclohexyl-1-propene
CID 10904993
tert-Butyl(((3S,5S,E)-1-iodo-5-methylnon-1-en-3-yl)oxy)dimethylsilane
CID 10938121
tert-butyl-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane
CID 13106519

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).