1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone

C13H24O3Si — CID 59065838

IUPAC1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone
SMILESCC(=O)C1C=CC(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H24O3Si/c1-10(14)12-8-7-11(16-12)9-15-17(5,6)13(2,3)4/h7-8,11-12H,9H2,1-6H3
InChIKeyJGCMFCBZUJHNOM-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.92
Rot. Bonds4

About 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone

1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone (PubChem CID 59065838) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone
PubChem CID59065838
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone
SMILESCC(=O)C1C=CC(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H24O3Si/c1-10(14)12-8-7-11(16-12)9-15-17(5,6)13(2,3)4/h7-8,11-12H,9H2,1-6H3
InChIKeyJGCMFCBZUJHNOM-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(Methoxymethyl)-2,5-dihydrofuran-2-yl]ethanone
CID 58492839
5-(Trimethylsilylmethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 68178325
Tert-butyl-(2,5-dihydrofuran-2-ylmethoxy)-dimethylsilane
CID 85884110
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 173852774
(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one
CID 50993173
tert-butyl-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enoxy]-dimethylsilane
CID 101401039

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone?
The IUPAC name of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone (CID 59065838) is 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone?
The canonical SMILES for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone is CC(=O)C1C=CC(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone?
The InChIKey is JGCMFCBZUJHNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-10(14)12-8-7-11(16-12)9-15-17(5,6)13(2,3)4/h7-8,11-12H,9H2,1-6H3.
What are the key properties of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone?
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone has a molecular weight of 256.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone is sourced from PubChem (CID 59065838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).