tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane

C15H27IO2Si — CID 174042096

IUPACtert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane
SMILESC=C1C[C@@H](C)O[C@H](/C=C/I)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IO2Si/c1-11-10-12(2)17-13(8-9-16)14(11)18-19(6,7)15(3,4)5/h8-9,12-14H,1,10H2,2-7H3/b9-8+/t12-,13-,14?/m1/s1
InChIKeyQZBSFJGEENBEGG-ZYMAOIPRSA-N
MW394.37 g/mol
LogP5.06
Rot. Bonds3

About tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane (PubChem CID 174042096) has the molecular formula C15H27IO2Si and a molecular weight of 394.37 g/mol. Its IUPAC name is tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane
PubChem CID174042096
Molecular FormulaC15H27IO2Si
Molecular Weight394.37 g/mol
Exact Mass394.08
IUPAC Nametert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane
SMILESC=C1C[C@@H](C)O[C@H](/C=C/I)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IO2Si/c1-11-10-12(2)17-13(8-9-16)14(11)18-19(6,7)15(3,4)5/h8-9,12-14H,1,10H2,2-7H3/b9-8+/t12-,13-,14?/m1/s1
InChIKeyQZBSFJGEENBEGG-ZYMAOIPRSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 55.06
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane (CID 174042096) is tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane is C=C1C[C@@H](C)O[C@H](/C=C/I)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane?
The InChIKey is QZBSFJGEENBEGG-ZYMAOIPRSA-N. The full InChI is InChI=1S/C15H27IO2Si/c1-11-10-12(2)17-13(8-9-16)14(11)18-19(6,7)15(3,4)5/h8-9,12-14H,1,10H2,2-7H3/b9-8+/t12-,13-,14?/m1/s1.
What are the key properties of tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane has a molecular weight of 394.37 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,6R)-2-[(E)-2-iodoethenyl]-6-methyl-4-methylideneoxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 174042096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).