[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate

C14H24O5Si — CID 19389470

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate
SMILESCC(=O)OC1=CC(=O)OC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H24O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h8,12H,7,9H2,1-6H3
InChIKeyBWXNAFHIRCTYBV-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.77
Rot. Bonds4

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate (PubChem CID 19389470) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate
PubChem CID19389470
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate
SMILESCC(=O)OC1=CC(=O)OC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H24O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h8,12H,7,9H2,1-6H3
InChIKeyBWXNAFHIRCTYBV-UHFFFAOYSA-N
XLogP2.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.77
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]-6-oxo-2,3-dihydropyran-4-yl] acetate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate (CID 19389470) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate is CC(=O)OC1=CC(=O)OC(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate?
The InChIKey is BWXNAFHIRCTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h8,12H,7,9H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate has a molecular weight of 300.43 g/mol, XLogP of 2.77, 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]-6-oxo-2,3-dihydropyran-4-yl] acetate is sourced from PubChem (CID 19389470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).