[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate

C15H28O4Si — CID 44517377

IUPAC[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@H](C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-11-8-9-13(19-12(2)16)14(18-11)10-17-20(6,7)15(3,4)5/h8-9,11,13-14H,10H2,1-7H3/t11-,13-,14+/m0/s1
InChIKeySHHFMGNTFFDEIU-FPMFFAJLSA-N
MW300.47 g/mol
LogP3.28
Rot. Bonds4

About [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate

[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate (PubChem CID 44517377) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate
PubChem CID44517377
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@H](C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-11-8-9-13(19-12(2)16)14(18-11)10-17-20(6,7)15(3,4)5/h8-9,11,13-14H,10H2,1-7H3/t11-,13-,14+/m0/s1
InChIKeySHHFMGNTFFDEIU-FPMFFAJLSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate (CID 44517377) is [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate is CC(=O)O[C@H]1C=C[C@H](C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is SHHFMGNTFFDEIU-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-11-8-9-13(19-12(2)16)14(18-11)10-17-20(6,7)15(3,4)5/h8-9,11,13-14H,10H2,1-7H3/t11-,13-,14+/m0/s1.
What are the key properties of [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate?
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 300.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 44517377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).