5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one

C11H22O6Si — CID 123843386

IUPAC5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one
SMILESCOCC1OC(=O)C(O[Si](C)(C)C)C(OC)C1O
InChIInChI=1S/C11H22O6Si/c1-14-6-7-8(12)9(15-2)10(11(13)16-7)17-18(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyIVYAEBACYCJYRF-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.15
Rot. Bonds5

About 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one

5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one (PubChem CID 123843386) has the molecular formula C11H22O6Si and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one
PubChem CID123843386
Molecular FormulaC11H22O6Si
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one
SMILESCOCC1OC(=O)C(O[Si](C)(C)C)C(OC)C1O
InChIInChI=1S/C11H22O6Si/c1-14-6-7-8(12)9(15-2)10(11(13)16-7)17-18(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyIVYAEBACYCJYRF-UHFFFAOYSA-N
XLogP0.15
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one?
The IUPAC name of 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one (CID 123843386) is 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one.
What is the SMILES notation for 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one?
The canonical SMILES for 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one is COCC1OC(=O)C(O[Si](C)(C)C)C(OC)C1O.
What is the InChIKey of 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one?
The InChIKey is IVYAEBACYCJYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6Si/c1-14-6-7-8(12)9(15-2)10(11(13)16-7)17-18(3,4)5/h7-10,12H,6H2,1-5H3.
What are the key properties of 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one?
5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one has a molecular weight of 278.38 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one is sourced from PubChem (CID 123843386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).