(6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one

C16H30O4Si — CID 134844067

IUPAC(6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
SMILESCCCC[C@H]1OC(O)C=C(CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30O4Si/c1-7-8-9-13-15(18)12(10-14(17)20-13)11-19-21(5,6)16(2,3)4/h10,13-14,17H,7-9,11H2,1-6H3/t13-,14?/m1/s1
InChIKeyHZVGJKYHOHLLAM-KWCCSABGSA-N
MW314.50 g/mol
LogP3.41
Rot. Bonds6

About (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one

(6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one (PubChem CID 134844067) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
PubChem CID134844067
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
SMILESCCCC[C@H]1OC(O)C=C(CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30O4Si/c1-7-8-9-13-15(18)12(10-14(17)20-13)11-19-21(5,6)16(2,3)4/h10,13-14,17H,7-9,11H2,1-6H3/t13-,14?/m1/s1
InChIKeyHZVGJKYHOHLLAM-KWCCSABGSA-N
XLogP3.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-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 (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one (CID 134844067) is (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one is CCCC[C@H]1OC(O)C=C(CO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
The InChIKey is HZVGJKYHOHLLAM-KWCCSABGSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-7-8-9-13-15(18)12(10-14(17)20-13)11-19-21(5,6)16(2,3)4/h10,13-14,17H,7-9,11H2,1-6H3/t13-,14?/m1/s1.
What are the key properties of (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one?
(6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one has a molecular weight of 314.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 134844067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).