(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one

C12H24O4Si — CID 15026618

IUPAC(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1CO
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)15-8-10-9(7-13)6-11(14)16-10/h9-10,13H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyFLUGTLUOYDZOAN-NXEZZACHSA-N
MW260.41 g/mol
LogP1.93
Rot. Bonds4

About (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one

(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one (PubChem CID 15026618) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one
PubChem CID15026618
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1CO
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)15-8-10-9(7-13)6-11(14)16-10/h9-10,13H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyFLUGTLUOYDZOAN-NXEZZACHSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dideoxy-3-C-methyl-5-O-tert-butyldimethylsilyl-D-erythro-pentono-1,4-lactone
CID 102292925
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-one
CID 11746945
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one
CID 135014164
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 9999501
(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-one
CID 15633272
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
CID 15677666
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxyoxolan-2-one
CID 59795609
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)oxan-2-one
CID 69112642
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)oxan-2-one
CID 69126391
5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374783
(5S)-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374784
5-[[Tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one (CID 15026618) is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1CO.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one?
The InChIKey is FLUGTLUOYDZOAN-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)15-8-10-9(7-13)6-11(14)16-10/h9-10,13H,6-8H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one?
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one has a molecular weight of 260.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 15026618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).