tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane

C12H24O3Si — CID 101226181

IUPACtert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane
SMILESCO[C@@H]1C=CC[C@H](O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-11-9-7-8-10(13-4)14-11/h7-8,10-11H,9H2,1-6H3/t10-,11-/m0/s1
InChIKeyAAKHZPFIWZRKRP-QWRGUYRKSA-N
MW244.41 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane (PubChem CID 101226181) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane
PubChem CID101226181
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane
SMILESCO[C@@H]1C=CC[C@H](O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-11-9-7-8-10(13-4)14-11/h7-8,10-11H,9H2,1-6H3/t10-,11-/m0/s1
InChIKeyAAKHZPFIWZRKRP-QWRGUYRKSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane (CID 101226181) is tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane is CO[C@@H]1C=CC[C@H](O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane?
The InChIKey is AAKHZPFIWZRKRP-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-11-9-7-8-10(13-4)14-11/h7-8,10-11H,9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane has a molecular weight of 244.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101226181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).