(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol

C17H32O4Si — CID 10640042

IUPAC(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)=CCO[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O4Si/c1-13(2)10-11-19-16-9-8-14(18)15(21-16)12-20-22(6,7)17(3,4)5/h8-10,14-16,18H,11-12H2,1-7H3/t14-,15+,16-/m0/s1
InChIKeyHFLGFICTZPDUAN-XHSDSOJGSA-N
MW328.53 g/mol
LogP3.63
Rot. Bonds6

About (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 10640042) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol
PubChem CID10640042
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)=CCO[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O4Si/c1-13(2)10-11-19-16-9-8-14(18)15(21-16)12-20-22(6,7)17(3,4)5/h8-10,14-16,18H,11-12H2,1-7H3/t14-,15+,16-/m0/s1
InChIKeyHFLGFICTZPDUAN-XHSDSOJGSA-N
XLogP3.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol (CID 10640042) is (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol is CC(C)=CCO[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is HFLGFICTZPDUAN-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-13(2)10-11-19-16-9-8-14(18)15(21-16)12-20-22(6,7)17(3,4)5/h8-10,14-16,18H,11-12H2,1-7H3/t14-,15+,16-/m0/s1.
What are the key properties of (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 328.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 10640042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).