[(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

C13H25IOSi — CID 101495837

IUPAC[(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCC(C)C[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C
InChIInChI=1S/C13H25IOSi/c1-9(2)7-12-13(16(4,5)6)11(14)8-10(3)15-12/h9-10,12H,7-8H2,1-6H3/t10-,12+/m0/s1
InChIKeyLYSUATASHZVSKM-CMPLNLGQSA-N
MW352.33 g/mol
LogP4.78
Rot. Bonds3

About [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

[(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (PubChem CID 101495837) has the molecular formula C13H25IOSi and a molecular weight of 352.33 g/mol. Its IUPAC name is [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
PubChem CID101495837
Molecular FormulaC13H25IOSi
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name[(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCC(C)C[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C
InChIInChI=1S/C13H25IOSi/c1-9(2)7-12-13(16(4,5)6)11(14)8-10(3)15-12/h9-10,12H,7-8H2,1-6H3/t10-,12+/m0/s1
InChIKeyLYSUATASHZVSKM-CMPLNLGQSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.78
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

[4-chloro-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431628
[(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 101495836
[(2S,6R)-6-ethyl-4-iodo-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 101495840
Trimethyl-[(4,6,6-trimethyl-2,5-dihydropyran-3-yl)methyl]silane
CID 10262616

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The IUPAC name of [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (CID 101495837) is [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.
What is the SMILES notation for [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The canonical SMILES for [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is CC(C)C[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C.
What is the InChIKey of [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The InChIKey is LYSUATASHZVSKM-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H25IOSi/c1-9(2)7-12-13(16(4,5)6)11(14)8-10(3)15-12/h9-10,12H,7-8H2,1-6H3/t10-,12+/m0/s1.
What are the key properties of [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
[(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane has a molecular weight of 352.33 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-iodo-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is sourced from PubChem (CID 101495837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).