5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol

C19H33NO4Si — CID 11726488

IUPAC5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OCC(NCc2ccccc2)C(O)C1O
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(4,5)24-13-16-18(22)17(21)15(12-23-16)20-11-14-9-7-6-8-10-14/h6-10,15-18,20-22H,11-13H2,1-5H3
InChIKeyDQJDLGPDQHJLCZ-UHFFFAOYSA-N
MW367.56 g/mol
LogP2.29
Rot. Bonds6

About 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol

5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol (PubChem CID 11726488) has the molecular formula C19H33NO4Si and a molecular weight of 367.56 g/mol. Its IUPAC name is 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol.

Molecular Properties

Compound Name5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
PubChem CID11726488
Molecular FormulaC19H33NO4Si
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Name5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OCC(NCc2ccccc2)C(O)C1O
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(4,5)24-13-16-18(22)17(21)15(12-23-16)20-11-14-9-7-6-8-10-14/h6-10,15-18,20-22H,11-13H2,1-5H3
InChIKeyDQJDLGPDQHJLCZ-UHFFFAOYSA-N
XLogP2.29
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
The IUPAC name of 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol (CID 11726488) is 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol.
What is the SMILES notation for 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
The canonical SMILES for 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol is CC(C)(C)[Si](C)(C)OCC1OCC(NCc2ccccc2)C(O)C1O.
What is the InChIKey of 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
The InChIKey is DQJDLGPDQHJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4Si/c1-19(2,3)25(4,5)24-13-16-18(22)17(21)15(12-23-16)20-11-14-9-7-6-8-10-14/h6-10,15-18,20-22H,11-13H2,1-5H3.
What are the key properties of 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol has a molecular weight of 367.56 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol is sourced from PubChem (CID 11726488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).