(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one

C24H32O4Si — CID 14081024

IUPAC(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one
SMILESC[C@@H]1CCC(=O)O[C@@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O4Si/c1-19-15-16-22(26)28-24(19,17-25)18-27-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,25H,15-18H2,1-4H3/t19-,24+/m1/s1
InChIKeySWIQMALPRHJTRP-DVECYGJZSA-N
MW412.60 g/mol
LogP3.27
Rot. Bonds6

About (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one

(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one (PubChem CID 14081024) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one.

Molecular Properties

Compound Name(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one
PubChem CID14081024
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Name(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one
SMILESC[C@@H]1CCC(=O)O[C@@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O4Si/c1-19-15-16-22(26)28-24(19,17-25)18-27-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,25H,15-18H2,1-4H3/t19-,24+/m1/s1
InChIKeySWIQMALPRHJTRP-DVECYGJZSA-N
XLogP3.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one?
The IUPAC name of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one (CID 14081024) is (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one.
What is the SMILES notation for (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one?
The canonical SMILES for (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one is C[C@@H]1CCC(=O)O[C@@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one?
The InChIKey is SWIQMALPRHJTRP-DVECYGJZSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-19-15-16-22(26)28-24(19,17-25)18-27-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,25H,15-18H2,1-4H3/t19-,24+/m1/s1.
What are the key properties of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one?
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one has a molecular weight of 412.60 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one is sourced from PubChem (CID 14081024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).