(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

C13H22O4Si — CID 11242695

IUPAC(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C13H22O4Si/c1-13(2,3)18(4,5)17-12-9-7-6-8(16-9)10(14)11(12)15/h6-10,12,14H,1-5H3/t8-,9+,10-,12+/m0/s1
InChIKeyFCKAXFXRICKXBN-MIZYBKAJSA-N
MW270.40 g/mol
LogP1.64
Rot. Bonds2

About (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 11242695) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID11242695
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Name(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C13H22O4Si/c1-13(2,3)18(4,5)17-12-9-7-6-8(16-9)10(14)11(12)15/h6-10,12,14H,1-5H3/t8-,9+,10-,12+/m0/s1
InChIKeyFCKAXFXRICKXBN-MIZYBKAJSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 11288769
(1S,2R,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101073662
(1S,2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 102377682
(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068295
(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10729651
(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11269139
(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10659560
(1R,2S,5R)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11403727
2-Trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 85885479
(1S,5S)-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101746286
(1R,2R,4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 102377675

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 11242695) is (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is CC(C)(C)[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@@H]2C=C[C@H]1O2.
What is the InChIKey of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is FCKAXFXRICKXBN-MIZYBKAJSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-13(2,3)18(4,5)17-12-9-7-6-8(16-9)10(14)11(12)15/h6-10,12,14H,1-5H3/t8-,9+,10-,12+/m0/s1.
What are the key properties of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 270.40 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 11242695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).