(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one

C12H24O4Si — CID 135014164

IUPAC(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one
SMILESCC1(O)CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-11(2,3)17(5,6)15-8-9-12(4,14)7-10(13)16-9/h9,14H,7-8H2,1-6H3/t9-,12?/m1/s1
InChIKeyQYYVNDFVOVICIY-PKEIRNPWSA-N
MW260.41 g/mol
LogP2.07
Rot. Bonds3

About (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one

(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one (PubChem CID 135014164) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one
PubChem CID135014164
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one
SMILESCC1(O)CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-11(2,3)17(5,6)15-8-9-12(4,14)7-10(13)16-9/h9,14H,7-8H2,1-6H3/t9-,12?/m1/s1
InChIKeyQYYVNDFVOVICIY-PKEIRNPWSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.07
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

(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
CID 174055803
3-[Tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
CID 175959005
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-one
CID 11746945
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-one
CID 101860135
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
CID 146018114
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)oxolan-2-one
CID 15026618
(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,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one
CID 58521303
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxyoxolan-2-one
CID 59795609
(3R,4R)-4-hydroxy-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxolan-2-one
CID 69497242
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione
CID 123869854

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one?
The IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one (CID 135014164) is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one.
What is the SMILES notation for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one?
The canonical SMILES for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one is CC1(O)CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one?
The InChIKey is QYYVNDFVOVICIY-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-11(2,3)17(5,6)15-8-9-12(4,14)7-10(13)16-9/h9,14H,7-8H2,1-6H3/t9-,12?/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one?
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one has a molecular weight of 260.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one is sourced from PubChem (CID 135014164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).