1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol

C11H24O3Si — CID 59365078

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)CC1CO1
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(4,5)14-7-9(12)6-10-8-13-10/h9-10,12H,6-8H2,1-5H3
InChIKeyYCQSKZKRRDTJQH-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.16
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol (PubChem CID 59365078) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol
PubChem CID59365078
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)CC1CO1
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(4,5)14-7-9(12)6-10-8-13-10/h9-10,12H,6-8H2,1-5H3
InChIKeyYCQSKZKRRDTJQH-UHFFFAOYSA-N
XLogP2.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol (CID 59365078) is 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol is CC(C)(C)[Si](C)(C)OCC(O)CC1CO1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol?
The InChIKey is YCQSKZKRRDTJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-11(2,3)15(4,5)14-7-9(12)6-10-8-13-10/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol has a molecular weight of 232.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol is sourced from PubChem (CID 59365078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).