[(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane

C15H27IO3Si — CID 11795823

IUPAC[(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C[C@H]2O[C@@H](/C=C/I)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C15H27IO3Si/c1-10-9-12-13(17-10)14(11(18-12)7-8-16)19-20(5,6)15(2,3)4/h7-8,10-14H,9H2,1-6H3/b8-7+/t10-,11+,12-,13+,14-/m1/s1
InChIKeyDZIRBTITTYPNQG-HYJBBODLSA-N
MW410.37 g/mol
LogP4.27
Rot. Bonds3

About [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane

[(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11795823) has the molecular formula C15H27IO3Si and a molecular weight of 410.37 g/mol. Its IUPAC name is [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11795823
Molecular FormulaC15H27IO3Si
Molecular Weight410.37 g/mol
Exact Mass410.08
IUPAC Name[(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C[C@H]2O[C@@H](/C=C/I)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C15H27IO3Si/c1-10-9-12-13(17-10)14(11(18-12)7-8-16)19-20(5,6)15(2,3)4/h7-8,10-14H,9H2,1-6H3/b8-7+/t10-,11+,12-,13+,14-/m1/s1
InChIKeyDZIRBTITTYPNQG-HYJBBODLSA-N
XLogP4.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane (CID 11795823) is [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane is C[C@@H]1C[C@H]2O[C@@H](/C=C/I)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is DZIRBTITTYPNQG-HYJBBODLSA-N. The full InChI is InChI=1S/C15H27IO3Si/c1-10-9-12-13(17-10)14(11(18-12)7-8-16)19-20(5,6)15(2,3)4/h7-8,10-14H,9H2,1-6H3/b8-7+/t10-,11+,12-,13+,14-/m1/s1.
What are the key properties of [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 410.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,5S,6R,6aS)-5-[(E)-2-iodoethenyl]-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11795823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).