4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal

C15H26O4Si — CID 10614042

IUPAC4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C(CCCC=O)C(=O)O1
InChIInChI=1S/C15H26O4Si/c1-15(2,3)20(4,5)18-11-13-10-12(14(17)19-13)8-6-7-9-16/h9-10,13H,6-8,11H2,1-5H3/t13-/m0/s1
InChIKeySNVGGMABCXWIGL-ZDUSSCGKSA-N
MW298.46 g/mol
LogP3.23
Rot. Bonds7

About 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal

4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal (PubChem CID 10614042) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal.

Molecular Properties

Compound Name4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal
PubChem CID10614042
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Name4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C(CCCC=O)C(=O)O1
InChIInChI=1S/C15H26O4Si/c1-15(2,3)20(4,5)18-11-13-10-12(14(17)19-13)8-6-7-9-16/h9-10,13H,6-8,11H2,1-5H3/t13-/m0/s1
InChIKeySNVGGMABCXWIGL-ZDUSSCGKSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal?
The IUPAC name of 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal (CID 10614042) is 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal.
What is the SMILES notation for 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal?
The canonical SMILES for 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal is CC(C)(C)[Si](C)(C)OC[C@@H]1C=C(CCCC=O)C(=O)O1.
What is the InChIKey of 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal?
The InChIKey is SNVGGMABCXWIGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-15(2,3)20(4,5)18-11-13-10-12(14(17)19-13)8-6-7-9-16/h9-10,13H,6-8,11H2,1-5H3/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal?
4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal has a molecular weight of 298.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal is sourced from PubChem (CID 10614042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).