4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol

C11H26O3Si — CID 10489902

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol
SMILESCC(O)(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O3Si/c1-10(2,3)15(5,6)14-8-7-11(4,13)9-12/h12-13H,7-9H2,1-6H3
InChIKeyZBMNAIKIKKIVRW-UHFFFAOYSA-N
MW234.41 g/mol
LogP2.14
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol

4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol (PubChem CID 10489902) has the molecular formula C11H26O3Si and a molecular weight of 234.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol
PubChem CID10489902
Molecular FormulaC11H26O3Si
Molecular Weight234.41 g/mol
Exact Mass234.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol
SMILESCC(O)(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O3Si/c1-10(2,3)15(5,6)14-8-7-11(4,13)9-12/h12-13H,7-9H2,1-6H3
InChIKeyZBMNAIKIKKIVRW-UHFFFAOYSA-N
XLogP2.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol (CID 10489902) is 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol is CC(O)(CO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol?
The InChIKey is ZBMNAIKIKKIVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si/c1-10(2,3)15(5,6)14-8-7-11(4,13)9-12/h12-13H,7-9H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol?
4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol has a molecular weight of 234.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutane-1,2-diol is sourced from PubChem (CID 10489902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).