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

C15H26O4Si — CID 11109317

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
SMILESC[C@H]1C=C(CC[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H26O4Si/c1-11-9-12(14(17)18-11)7-8-13(10-16)19-20(5,6)15(2,3)4/h9-11,13H,7-8H2,1-6H3/t11-,13-/m0/s1
InChIKeyXOGMMWIILVVTOR-AAEUAGOBSA-N
MW298.45 g/mol
LogP3.23
Rot. Bonds6

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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal (PubChem CID 11109317) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
PubChem CID11109317
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
SMILESC[C@H]1C=C(CC[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H26O4Si/c1-11-9-12(14(17)18-11)7-8-13(10-16)19-20(5,6)15(2,3)4/h9-11,13H,7-8H2,1-6H3/t11-,13-/m0/s1
InChIKeyXOGMMWIILVVTOR-AAEUAGOBSA-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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal (CID 11109317) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal is C[C@H]1C=C(CC[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The InChIKey is XOGMMWIILVVTOR-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-11-9-12(14(17)18-11)7-8-13(10-16)19-20(5,6)15(2,3)4/h9-11,13H,7-8H2,1-6H3/t11-,13-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
(2S)-2-[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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal is sourced from PubChem (CID 11109317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).