2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

C12H24O4Si — CID 4550716

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OC=CC(O)C1O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h6-7,9-11,13-14H,8H2,1-5H3
InChIKeyHYSBQWOHQIVUQQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.64
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 4550716) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID4550716
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OC=CC(O)C1O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h6-7,9-11,13-14H,8H2,1-5H3
InChIKeyHYSBQWOHQIVUQQ-UHFFFAOYSA-N
XLogP1.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol (CID 4550716) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol is CC(C)(C)[Si](C)(C)OCC1OC=CC(O)C1O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is HYSBQWOHQIVUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h6-7,9-11,13-14H,8H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 260.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 4550716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).