(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal

C15H26O4Si — CID 11781505

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
SMILESC[C@H]1C=C(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H26O4Si/c1-11-9-12(14(17)18-11)10-13(7-8-16)19-20(5,6)15(2,3)4/h8-9,11,13H,7,10H2,1-6H3/t11-,13+/m0/s1
InChIKeyFKOUEPOPGYTESA-WCQYABFASA-N
MW298.45 g/mol
LogP3.23
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal (PubChem CID 11781505) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
PubChem CID11781505
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
SMILESC[C@H]1C=C(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H26O4Si/c1-11-9-12(14(17)18-11)10-13(7-8-16)19-20(5,6)15(2,3)4/h8-9,11,13H,7,10H2,1-6H3/t11-,13+/m0/s1
InChIKeyFKOUEPOPGYTESA-WCQYABFASA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal (CID 11781505) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal is C[C@H]1C=C(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The InChIKey is FKOUEPOPGYTESA-WCQYABFASA-N. The full InChI is InChI=1S/C15H26O4Si/c1-11-9-12(14(17)18-11)10-13(7-8-16)19-20(5,6)15(2,3)4/h8-9,11,13H,7,10H2,1-6H3/t11-,13+/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal has a molecular weight of 298.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal is sourced from PubChem (CID 11781505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).