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

C13H26O3Si — CID 101226199

IUPACtert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCO[C@H]1C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)15-10-11-8-7-9-12(14-4)16-11/h7,9,11-12H,8,10H2,1-6H3/t11-,12+/m0/s1
InChIKeyZNRMVEKEWBTFFQ-NWDGAFQWSA-N
MW258.43 g/mol
LogP3.33
Rot. Bonds4

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

tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 101226199) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID101226199
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nametert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCO[C@H]1C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)15-10-11-8-7-9-12(14-4)16-11/h7,9,11-12H,8,10H2,1-6H3/t11-,12+/m0/s1
InChIKeyZNRMVEKEWBTFFQ-NWDGAFQWSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.33
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,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 101226199) is tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CO[C@H]1C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is ZNRMVEKEWBTFFQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)15-10-11-8-7-9-12(14-4)16-11/h7,9,11-12H,8,10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 258.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 101226199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).