6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one

C15H26O5Si — CID 10380941

IUPAC6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C([C@@H]2O[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H26O5Si/c1-14(2,3)21(6,7)17-9-11-13(18-11)10-8-12(16)20-15(4,5)19-10/h8,11,13H,9H2,1-7H3/t11-,13+/m1/s1
InChIKeyGLOUDNUEZQLCOV-YPMHNXCESA-N
MW314.45 g/mol
LogP2.97
Rot. Bonds4

About 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 10380941) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID10380941
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C([C@@H]2O[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H26O5Si/c1-14(2,3)21(6,7)17-9-11-13(18-11)10-8-12(16)20-15(4,5)19-10/h8,11,13H,9H2,1-7H3/t11-,13+/m1/s1
InChIKeyGLOUDNUEZQLCOV-YPMHNXCESA-N
XLogP2.97
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one (CID 10380941) is 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C([C@@H]2O[C@@H]2CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is GLOUDNUEZQLCOV-YPMHNXCESA-N. The full InChI is InChI=1S/C15H26O5Si/c1-14(2,3)21(6,7)17-9-11-13(18-11)10-8-12(16)20-15(4,5)19-10/h8,11,13H,9H2,1-7H3/t11-,13+/m1/s1.
What are the key properties of 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 314.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10380941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).