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

C14H27IOSi — CID 101495835

IUPAC[(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCCCCC[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-6-7-8-9-13-14(17(3,4)5)12(15)10-11(2)16-13/h11,13H,6-10H2,1-5H3/t11-,13+/m0/s1
InChIKeyVLUFURCPZCMDFJ-WCQYABFASA-N
MW366.36 g/mol
LogP5.31
Rot. Bonds5

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

[(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (PubChem CID 101495835) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is [(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
PubChem CID101495835
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name[(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCCCCC[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-6-7-8-9-13-14(17(3,4)5)12(15)10-11(2)16-13/h11,13H,6-10H2,1-5H3/t11-,13+/m0/s1
InChIKeyVLUFURCPZCMDFJ-WCQYABFASA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(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

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The IUPAC name of [(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (CID 101495835) is [(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.
What is the SMILES notation for [(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The canonical SMILES for [(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is CCCCC[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-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The InChIKey is VLUFURCPZCMDFJ-WCQYABFASA-N. The full InChI is InChI=1S/C14H27IOSi/c1-6-7-8-9-13-14(17(3,4)5)12(15)10-11(2)16-13/h11,13H,6-10H2,1-5H3/t11-,13+/m0/s1.
What are the key properties of [(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
[(2S,6R)-4-iodo-2-methyl-6-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.31, 5 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-pentyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is sourced from PubChem (CID 101495835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).