(2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one

C18H34O4Si — CID 15599467

IUPAC(2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one
SMILESCC(C)[C@H]1OC(O)(CCCCO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C18H34O4Si/c1-14(2)16-15(19)10-12-18(20,22-16)11-8-9-13-21-23(6,7)17(3,4)5/h10,12,14,16,20H,8-9,11,13H2,1-7H3/t16-,18?/m1/s1
InChIKeyWVOPPMLYDRWFBC-PYUWXLGESA-N
MW342.55 g/mol
LogP4.05
Rot. Bonds7

About (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one

(2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one (PubChem CID 15599467) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one.

Molecular Properties

Compound Name(2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one
PubChem CID15599467
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one
SMILESCC(C)[C@H]1OC(O)(CCCCO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C18H34O4Si/c1-14(2)16-15(19)10-12-18(20,22-16)11-8-9-13-21-23(6,7)17(3,4)5/h10,12,14,16,20H,8-9,11,13H2,1-7H3/t16-,18?/m1/s1
InChIKeyWVOPPMLYDRWFBC-PYUWXLGESA-N
XLogP4.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.05
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 (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one?
The IUPAC name of (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one (CID 15599467) is (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one.
What is the SMILES notation for (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one?
The canonical SMILES for (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one is CC(C)[C@H]1OC(O)(CCCCO[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one?
The InChIKey is WVOPPMLYDRWFBC-PYUWXLGESA-N. The full InChI is InChI=1S/C18H34O4Si/c1-14(2)16-15(19)10-12-18(20,22-16)11-8-9-13-21-23(6,7)17(3,4)5/h10,12,14,16,20H,8-9,11,13H2,1-7H3/t16-,18?/m1/s1.
What are the key properties of (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one?
(2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one has a molecular weight of 342.55 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one is sourced from PubChem (CID 15599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).