tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane

C13H25IO2Si — CID 11111365

IUPACtert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@H]1/C=C/I
InChIInChI=1S/C13H25IO2Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h8-9,11-12H,6-7,10H2,1-5H3/b9-8+/t11-,12+/m0/s1
InChIKeyOPTSTYDGBLNTCM-VDTGWRSZSA-N
MW368.33 g/mol
LogP4.50
Rot. Bonds3

About tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane (PubChem CID 11111365) has the molecular formula C13H25IO2Si and a molecular weight of 368.33 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane
PubChem CID11111365
Molecular FormulaC13H25IO2Si
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC Nametert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@H]1/C=C/I
InChIInChI=1S/C13H25IO2Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h8-9,11-12H,6-7,10H2,1-5H3/b9-8+/t11-,12+/m0/s1
InChIKeyOPTSTYDGBLNTCM-VDTGWRSZSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane (CID 11111365) is tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@H]1/C=C/I.
What is the InChIKey of tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane?
The InChIKey is OPTSTYDGBLNTCM-VDTGWRSZSA-N. The full InChI is InChI=1S/C13H25IO2Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h8-9,11-12H,6-7,10H2,1-5H3/b9-8+/t11-,12+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane has a molecular weight of 368.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11111365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).