2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol

C16H30O5Si — CID 68710889

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC1OC(CC2OCCO2)C=CC1O
InChIInChI=1S/C16H30O5Si/c1-16(2,3)22(4,5)20-11-14-13(17)7-6-12(21-14)10-15-18-8-9-19-15/h6-7,12-15,17H,8-11H2,1-5H3
InChIKeyWKBVRALPVUMUHY-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.46
Rot. Bonds5

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 68710889) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID68710889
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC1OC(CC2OCCO2)C=CC1O
InChIInChI=1S/C16H30O5Si/c1-16(2,3)22(4,5)20-11-14-13(17)7-6-12(21-14)10-15-18-8-9-19-15/h6-7,12-15,17H,8-11H2,1-5H3
InChIKeyWKBVRALPVUMUHY-UHFFFAOYSA-N
XLogP2.46
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol (CID 68710889) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](C)(C)OCC1OC(CC2OCCO2)C=CC1O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is WKBVRALPVUMUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-16(2,3)22(4,5)20-11-14-13(17)7-6-12(21-14)10-15-18-8-9-19-15/h6-7,12-15,17H,8-11H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 330.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 68710889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).