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

C15H28O4Si — CID 101482337

IUPAC(6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(4,5)18-11-7-6-8-13-12(16)9-10-14(17)19-13/h9-10,13-14,17H,6-8,11H2,1-5H3/t13-,14?/m0/s1
InChIKeyURYXRPDLIPAXHJ-LSLKUGRBSA-N
MW300.47 g/mol
LogP3.02
Rot. Bonds6

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

(6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one (PubChem CID 101482337) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one
PubChem CID101482337
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(4,5)18-11-7-6-8-13-12(16)9-10-14(17)19-13/h9-10,13-14,17H,6-8,11H2,1-5H3/t13-,14?/m0/s1
InChIKeyURYXRPDLIPAXHJ-LSLKUGRBSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one (CID 101482337) is (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one is CC(C)(C)[Si](C)(C)OCCCC[C@@H]1OC(O)C=CC1=O.
What is the InChIKey of (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one?
The InChIKey is URYXRPDLIPAXHJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(4,5)18-11-7-6-8-13-12(16)9-10-14(17)19-13/h9-10,13-14,17H,6-8,11H2,1-5H3/t13-,14?/m0/s1.
What are the key properties of (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one?
(6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one has a molecular weight of 300.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 101482337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).