(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one

C16H34O3Si — CID 15202437

IUPAC(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
SMILESCC(=O)C[C@@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-11(2)15(13(4)14(18)10-12(3)17)19-20(8,9)16(5,6)7/h11,13-15,18H,10H2,1-9H3/t13-,14+,15+/m0/s1
InChIKeyCFORFRBCZCYLDX-RRFJBIMHSA-N
MW302.53 g/mol
LogP4.01
Rot. Bonds7

About (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one

(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one (PubChem CID 15202437) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
PubChem CID15202437
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
SMILESCC(=O)C[C@@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-11(2)15(13(4)14(18)10-12(3)17)19-20(8,9)16(5,6)7/h11,13-15,18H,10H2,1-9H3/t13-,14+,15+/m0/s1
InChIKeyCFORFRBCZCYLDX-RRFJBIMHSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-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 (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one?
The IUPAC name of (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one (CID 15202437) is (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one.
What is the SMILES notation for (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one?
The canonical SMILES for (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one is CC(=O)C[C@@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one?
The InChIKey is CFORFRBCZCYLDX-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-11(2)15(13(4)14(18)10-12(3)17)19-20(8,9)16(5,6)7/h11,13-15,18H,10H2,1-9H3/t13-,14+,15+/m0/s1.
What are the key properties of (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one?
(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one has a molecular weight of 302.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one is sourced from PubChem (CID 15202437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).