2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol

C13H28O3Si — CID 10706494

IUPAC2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCO
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyJBNSRDYPVRCDQK-NEPJUHHUSA-N
MW260.45 g/mol
LogP2.94
Rot. Bonds4

About 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol (PubChem CID 10706494) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
PubChem CID10706494
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCO
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyJBNSRDYPVRCDQK-NEPJUHHUSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol?
The IUPAC name of 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol (CID 10706494) is 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCO.
What is the InChIKey of 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol?
The InChIKey is JBNSRDYPVRCDQK-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol?
2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol has a molecular weight of 260.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol is sourced from PubChem (CID 10706494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).