(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one

C25H32O4Si — CID 71479683

IUPAC(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one
SMILESC=CCC1(O)CC(=O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H32O4Si/c1-5-16-25(27)17-20(29-23(26)18-25)19-28-30(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-15,20,27H,1,16-19H2,2-4H3/t20-,25?/m1/s1
InChIKeyIRTRICRRNGSUAS-VGOKPJQXSA-N
MW424.61 g/mol
LogP3.58
Rot. Bonds7

About (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one

(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one (PubChem CID 71479683) has the molecular formula C25H32O4Si and a molecular weight of 424.61 g/mol. Its IUPAC name is (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one.

Molecular Properties

Compound Name(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one
PubChem CID71479683
Molecular FormulaC25H32O4Si
Molecular Weight424.61 g/mol
Exact Mass424.21
IUPAC Name(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one
SMILESC=CCC1(O)CC(=O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H32O4Si/c1-5-16-25(27)17-20(29-23(26)18-25)19-28-30(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-15,20,27H,1,16-19H2,2-4H3/t20-,25?/m1/s1
InChIKeyIRTRICRRNGSUAS-VGOKPJQXSA-N
XLogP3.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one?
The IUPAC name of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one (CID 71479683) is (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one.
What is the SMILES notation for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one?
The canonical SMILES for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one is C=CCC1(O)CC(=O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one?
The InChIKey is IRTRICRRNGSUAS-VGOKPJQXSA-N. The full InChI is InChI=1S/C25H32O4Si/c1-5-16-25(27)17-20(29-23(26)18-25)19-28-30(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-15,20,27H,1,16-19H2,2-4H3/t20-,25?/m1/s1.
What are the key properties of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one?
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one has a molecular weight of 424.61 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-4-prop-2-enyloxan-2-one is sourced from PubChem (CID 71479683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).