(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol

C13H30O3Si — CID 102037319

IUPAC(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol
SMILESCC(C)(C)[C@@](O)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(2,3)13(15,9-14)10-16-17(7,8)12(4,5)6/h14-15H,9-10H2,1-8H3/t13-/m1/s1
InChIKeyWPHLWKJQZIEOET-CYBMUJFWSA-N
MW262.47 g/mol
LogP2.78
Rot. Bonds4

About (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol (PubChem CID 102037319) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol
PubChem CID102037319
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol
SMILESCC(C)(C)[C@@](O)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(2,3)13(15,9-14)10-16-17(7,8)12(4,5)6/h14-15H,9-10H2,1-8H3/t13-/m1/s1
InChIKeyWPHLWKJQZIEOET-CYBMUJFWSA-N
XLogP2.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol with MolForge

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol
CID 101410805
3-[Tert-butyl(dimethyl)silyl]oxy-3-methylbutan-1-ol
CID 134840807
3-[Tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-ol
CID 10753215
3-[Tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol
CID 15598235
4-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol
CID 57556562
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol
CID 58012763
2-Dimethylsilyloxy-3,3-dimethylbutan-1-ol
CID 173254028
2-Dimethylsilyloxy-3,3-dimethylbutane-1,2-diol
CID 173296294
2-Dimethylsilyl-3,3-dimethylbutane-1,2-diol
CID 174837270
3,3-Dimethyl-1-trimethylsilyloxybutan-2-ol
CID 177763078
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol
CID 10489902
2-Methyl-3-triethylsilyloxypropane-1,2-diol
CID 10704183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol?
The IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol (CID 102037319) is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol.
What is the SMILES notation for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol?
The canonical SMILES for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol is CC(C)(C)[C@@](O)(CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol?
The InChIKey is WPHLWKJQZIEOET-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-11(2,3)13(15,9-14)10-16-17(7,8)12(4,5)6/h14-15H,9-10H2,1-8H3/t13-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol?
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol has a molecular weight of 262.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol is sourced from PubChem (CID 102037319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).