[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

C13H25ClOSi — CID 134992589

IUPAC[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCCC(C)[C@@H]1O[C@@H](C)CC(Cl)=C1[Si](C)(C)C
InChIInChI=1S/C13H25ClOSi/c1-7-9(2)12-13(16(4,5)6)11(14)8-10(3)15-12/h9-10,12H,7-8H2,1-6H3/t9?,10-,12-/m0/s1
InChIKeyMCNXFAZXOKURMZ-CIZBPJNJSA-N
MW260.88 g/mol
LogP4.58
Rot. Bonds3

About [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (PubChem CID 134992589) has the molecular formula C13H25ClOSi and a molecular weight of 260.88 g/mol. Its IUPAC name is [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
PubChem CID134992589
Molecular FormulaC13H25ClOSi
Molecular Weight260.88 g/mol
Exact Mass260.14
IUPAC Name[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCCC(C)[C@@H]1O[C@@H](C)CC(Cl)=C1[Si](C)(C)C
InChIInChI=1S/C13H25ClOSi/c1-7-9(2)12-13(16(4,5)6)11(14)8-10(3)15-12/h9-10,12H,7-8H2,1-6H3/t9?,10-,12-/m0/s1
InChIKeyMCNXFAZXOKURMZ-CIZBPJNJSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.88
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 16747685
[(2S,6R)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431630
[(2S,3S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431682
[(2S,3S,6R)-6-but-3-enyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431683
[(2S,6R)-4-chloro-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 102181144
[(2S,6S)-4-chloro-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 134928859
[(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 11697684

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The IUPAC name of [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (CID 134992589) is [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.
What is the SMILES notation for [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The canonical SMILES for [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is CCC(C)[C@@H]1O[C@@H](C)CC(Cl)=C1[Si](C)(C)C.
What is the InChIKey of [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The InChIKey is MCNXFAZXOKURMZ-CIZBPJNJSA-N. The full InChI is InChI=1S/C13H25ClOSi/c1-7-9(2)12-13(16(4,5)6)11(14)8-10(3)15-12/h9-10,12H,7-8H2,1-6H3/t9?,10-,12-/m0/s1.
What are the key properties of [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane has a molecular weight of 260.88 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is sourced from PubChem (CID 134992589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).