(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol

C14H28O4Si — CID 134068018

IUPAC(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OC=C[C@@](C)(O)[C@]1(C)O
InChIInChI=1S/C14H28O4Si/c1-12(2,3)19(6,7)18-10-11-14(5,16)13(4,15)8-9-17-11/h8-9,11,15-16H,10H2,1-7H3/t11?,13-,14-/m1/s1
InChIKeyMIWDEZXFBSEXFT-HIDCPEKUSA-N
MW288.46 g/mol
LogP2.42
Rot. Bonds3

About (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol

(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol (PubChem CID 134068018) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol
PubChem CID134068018
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OC=C[C@@](C)(O)[C@]1(C)O
InChIInChI=1S/C14H28O4Si/c1-12(2,3)19(6,7)18-10-11-14(5,16)13(4,15)8-9-17-11/h8-9,11,15-16H,10H2,1-7H3/t11?,13-,14-/m1/s1
InChIKeyMIWDEZXFBSEXFT-HIDCPEKUSA-N
XLogP2.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.42
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

tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59672533
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11132099
tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 25224031
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364
1-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11471775
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol?
The IUPAC name of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol (CID 134068018) is (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol.
What is the SMILES notation for (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol?
The canonical SMILES for (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol is CC(C)(C)[Si](C)(C)OCC1OC=C[C@@](C)(O)[C@]1(C)O.
What is the InChIKey of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol?
The InChIKey is MIWDEZXFBSEXFT-HIDCPEKUSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-12(2,3)19(6,7)18-10-11-14(5,16)13(4,15)8-9-17-11/h8-9,11,15-16H,10H2,1-7H3/t11?,13-,14-/m1/s1.
What are the key properties of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol?
(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol has a molecular weight of 288.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-2H-pyran-3,4-diol is sourced from PubChem (CID 134068018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).