tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane

C15H29IOSi — CID 71619673

IUPACtert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane
SMILESC/C(=C\I)[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IOSi/c1-12(11-16)13-9-7-8-10-14(13)17-18(5,6)15(2,3)4/h11,13-14H,7-10H2,1-6H3/b12-11+/t13-,14+/m1/s1
InChIKeyUNQDAHBMLFSWGS-WLDGIZNKSA-N
MW380.39 g/mol
LogP5.91
Rot. Bonds3

About tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane (PubChem CID 71619673) has the molecular formula C15H29IOSi and a molecular weight of 380.39 g/mol. Its IUPAC name is tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane
PubChem CID71619673
Molecular FormulaC15H29IOSi
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Nametert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane
SMILESC/C(=C\I)[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IOSi/c1-12(11-16)13-9-7-8-10-14(13)17-18(5,6)15(2,3)4/h11,13-14H,7-10H2,1-6H3/b12-11+/t13-,14+/m1/s1
InChIKeyUNQDAHBMLFSWGS-WLDGIZNKSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.91
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)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane (CID 71619673) is tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane is C/C(=C\I)[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane?
The InChIKey is UNQDAHBMLFSWGS-WLDGIZNKSA-N. The full InChI is InChI=1S/C15H29IOSi/c1-12(11-16)13-9-7-8-10-14(13)17-18(5,6)15(2,3)4/h11,13-14H,7-10H2,1-6H3/b12-11+/t13-,14+/m1/s1.
What are the key properties of tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane has a molecular weight of 380.39 g/mol, XLogP of 5.91, 3 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)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 71619673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).