(1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one

C14H26O4Si — CID 10039655

IUPAC(1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one
SMILESC[C@@H]1C(=O)[C@@]2(CO)O[C@@H]1C[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-9-10-7-11(14(8-15,17-10)12(9)16)18-19(5,6)13(2,3)4/h9-11,15H,7-8H2,1-6H3/t9-,10+,11+,14-/m0/s1
InChIKeyGMDNMPHDQFXAOJ-OXIWPEFWSA-N
MW286.44 g/mol
LogP2.12
Rot. Bonds3

About (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one

(1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one (PubChem CID 10039655) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one
PubChem CID10039655
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one
SMILESC[C@@H]1C(=O)[C@@]2(CO)O[C@@H]1C[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-9-10-7-11(14(8-15,17-10)12(9)16)18-19(5,6)13(2,3)4/h9-11,15H,7-8H2,1-6H3/t9-,10+,11+,14-/m0/s1
InChIKeyGMDNMPHDQFXAOJ-OXIWPEFWSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one (CID 10039655) is (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one is C[C@@H]1C(=O)[C@@]2(CO)O[C@@H]1C[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one?
The InChIKey is GMDNMPHDQFXAOJ-OXIWPEFWSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-9-10-7-11(14(8-15,17-10)12(9)16)18-19(5,6)13(2,3)4/h9-11,15H,7-8H2,1-6H3/t9-,10+,11+,14-/m0/s1.
What are the key properties of (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one?
(1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one has a molecular weight of 286.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 10039655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).