3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol

C10H24O3Si — CID 15598235

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O3Si/c1-9(2,3)14(5,6)13-8-10(4,12)7-11/h11-12H,7-8H2,1-6H3
InChIKeyJXKADUOMGZVWEX-UHFFFAOYSA-N
MW220.38 g/mol
LogP1.75
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol

3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol (PubChem CID 15598235) has the molecular formula C10H24O3Si and a molecular weight of 220.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol
PubChem CID15598235
Molecular FormulaC10H24O3Si
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O3Si/c1-9(2,3)14(5,6)13-8-10(4,12)7-11/h11-12H,7-8H2,1-6H3
InChIKeyJXKADUOMGZVWEX-UHFFFAOYSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 51.75
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 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol (CID 15598235) is 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol is CC(O)(CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol?
The InChIKey is JXKADUOMGZVWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3Si/c1-9(2,3)14(5,6)13-8-10(4,12)7-11/h11-12H,7-8H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol?
3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol has a molecular weight of 220.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropane-1,2-diol is sourced from PubChem (CID 15598235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).