[(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate

C16H28O6Si — CID 10450207

IUPAC[(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O6Si/c1-11(17)21-13-8-9-19-14(15(13)22-12(2)18)10-20-23(6,7)16(3,4)5/h8-9,13-15H,10H2,1-7H3/t13-,14-,15-/m1/s1
InChIKeyHSYXDFIWVSUKFT-RBSFLKMASA-N
MW344.48 g/mol
LogP2.78
Rot. Bonds5

About [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate

[(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 10450207) has the molecular formula C16H28O6Si and a molecular weight of 344.48 g/mol. Its IUPAC name is [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID10450207
Molecular FormulaC16H28O6Si
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O6Si/c1-11(17)21-13-8-9-19-14(15(13)22-12(2)18)10-20-23(6,7)16(3,4)5/h8-9,13-15H,10H2,1-7H3/t13-,14-,15-/m1/s1
InChIKeyHSYXDFIWVSUKFT-RBSFLKMASA-N
XLogP2.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
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 [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (CID 10450207) is [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)O[C@@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is HSYXDFIWVSUKFT-RBSFLKMASA-N. The full InChI is InChI=1S/C16H28O6Si/c1-11(17)21-13-8-9-19-14(15(13)22-12(2)18)10-20-23(6,7)16(3,4)5/h8-9,13-15H,10H2,1-7H3/t13-,14-,15-/m1/s1.
What are the key properties of [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 344.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 10450207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).