[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate

C16H29NO4Si — CID 10496471

IUPAC[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate
SMILESCC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1OC#N
InChIInChI=1S/C16H29NO4Si/c1-12(2)20-15-14(18-11-17)9-8-13(21-15)10-19-22(6,7)16(3,4)5/h8-9,12-15H,10H2,1-7H3/t13-,14+,15-/m0/s1
InChIKeyGKQXFWSMKFEQHE-ZNMIVQPWSA-N
MW327.50 g/mol
LogP3.58
Rot. Bonds6

About [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate

[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate (PubChem CID 10496471) has the molecular formula C16H29NO4Si and a molecular weight of 327.50 g/mol. Its IUPAC name is [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate.

Molecular Properties

Compound Name[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate
PubChem CID10496471
Molecular FormulaC16H29NO4Si
Molecular Weight327.50 g/mol
Exact Mass327.19
IUPAC Name[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate
SMILESCC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1OC#N
InChIInChI=1S/C16H29NO4Si/c1-12(2)20-15-14(18-11-17)9-8-13(21-15)10-19-22(6,7)16(3,4)5/h8-9,12-15H,10H2,1-7H3/t13-,14+,15-/m0/s1
InChIKeyGKQXFWSMKFEQHE-ZNMIVQPWSA-N
XLogP3.58
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate?
The IUPAC name of [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate (CID 10496471) is [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate.
What is the SMILES notation for [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate?
The canonical SMILES for [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate is CC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1OC#N.
What is the InChIKey of [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate?
The InChIKey is GKQXFWSMKFEQHE-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H29NO4Si/c1-12(2)20-15-14(18-11-17)9-8-13(21-15)10-19-22(6,7)16(3,4)5/h8-9,12-15H,10H2,1-7H3/t13-,14+,15-/m0/s1.
What are the key properties of [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate?
[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate has a molecular weight of 327.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate is sourced from PubChem (CID 10496471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).