(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione

C13H22O5Si — CID 58906148

IUPAC(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)C1=O
InChIInChI=1S/C13H22O5Si/c1-12(2,3)19(4,5)18-9-7-13(16)6-8(10(9)14)17-11(13)15/h8-9,16H,6-7H2,1-5H3/t8-,9-,13-/m1/s1
InChIKeyHLNBATPMBKHNSN-JRKPZEMJSA-N
MW286.40 g/mol
LogP1.40
Rot. Bonds2

About (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione

(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione (PubChem CID 58906148) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione.

Molecular Properties

Compound Name(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione
PubChem CID58906148
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Name(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)C1=O
InChIInChI=1S/C13H22O5Si/c1-12(2,3)19(4,5)18-9-7-13(16)6-8(10(9)14)17-11(13)15/h8-9,16H,6-7H2,1-5H3/t8-,9-,13-/m1/s1
InChIKeyHLNBATPMBKHNSN-JRKPZEMJSA-N
XLogP1.40
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
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 (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione?
The IUPAC name of (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione (CID 58906148) is (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione.
What is the SMILES notation for (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione?
The canonical SMILES for (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)C1=O.
What is the InChIKey of (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione?
The InChIKey is HLNBATPMBKHNSN-JRKPZEMJSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-12(2,3)19(4,5)18-9-7-13(16)6-8(10(9)14)17-11(13)15/h8-9,16H,6-7H2,1-5H3/t8-,9-,13-/m1/s1.
What are the key properties of (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione?
(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione has a molecular weight of 286.40 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-4,7-dione is sourced from PubChem (CID 58906148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).