[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate

C15H26O5Si — CID 11174484

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate
SMILESCC(=O)OC1(CO[Si](C)(C)C(C)(C)C)OCC(=O)C=C1C
InChIInChI=1S/C15H26O5Si/c1-11-8-13(17)9-18-15(11,20-12(2)16)10-19-21(6,7)14(3,4)5/h8H,9-10H2,1-7H3
InChIKeyYYTVUJHFSIFYGI-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.81
Rot. Bonds4

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate (PubChem CID 11174484) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate
PubChem CID11174484
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate
SMILESCC(=O)OC1(CO[Si](C)(C)C(C)(C)C)OCC(=O)C=C1C
InChIInChI=1S/C15H26O5Si/c1-11-8-13(17)9-18-15(11,20-12(2)16)10-19-21(6,7)14(3,4)5/h8H,9-10H2,1-7H3
InChIKeyYYTVUJHFSIFYGI-UHFFFAOYSA-N
XLogP2.81
TPSA61.83 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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate (CID 11174484) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate is CC(=O)OC1(CO[Si](C)(C)C(C)(C)C)OCC(=O)C=C1C.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate?
The InChIKey is YYTVUJHFSIFYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-11-8-13(17)9-18-15(11,20-12(2)16)10-19-21(6,7)14(3,4)5/h8H,9-10H2,1-7H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate has a molecular weight of 314.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate is sourced from PubChem (CID 11174484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).