(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol

C12H24O4Si — CID 22859287

IUPAC(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C=CO[C@@H]1CO
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-11-9(14)6-7-15-10(11)8-13/h6-7,9-11,13-14H,8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyOAQPGOPABPTUSE-MXWKQRLJSA-N
MW260.41 g/mol
LogP1.64
Rot. Bonds3

About (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol

(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol (PubChem CID 22859287) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
PubChem CID22859287
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C=CO[C@@H]1CO
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-11-9(14)6-7-15-10(11)8-13/h6-7,9-11,13-14H,8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyOAQPGOPABPTUSE-MXWKQRLJSA-N
XLogP1.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
CID 88871664
CID 88871664
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59672533
(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-ol
CID 25139138
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol
CID 101232089

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol (CID 22859287) is (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C=CO[C@@H]1CO.
What is the InChIKey of (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is OAQPGOPABPTUSE-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-11-9(14)6-7-15-10(11)8-13/h6-7,9-11,13-14H,8H2,1-5H3/t9-,10-,11+/m1/s1.
What are the key properties of (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 260.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 22859287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).