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

C15H26O4Si — CID 11077390

IUPAC(2R)-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-WCQYABFASA-N
MW298.45 g/mol
LogP3.23
Rot. Bonds6

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

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal (PubChem CID 11077390) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
PubChem CID11077390
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name(2R)-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-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentene-1-carboxylate
CID 10754540
[(1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxocyclopent-2-en-1-yl] acetate
CID 173972651
4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal
CID 10614042
(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
CID 10927967
(2S)-4-[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-2-methyl-2H-furan-5-one
CID 10971728
(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one
CID 10990246
(2S)-4-[(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-2-methyl-2H-furan-5-one
CID 10993387
(2S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
CID 11037243
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal
CID 11109317
(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal
CID 11245118
(2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one
CID 11822185
(2S)-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one
CID 11833517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal (CID 11077390) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The canonical SMILES for (2R)-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 (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
The InChIKey is XOGMMWIILVVTOR-WCQYABFASA-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 (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal?
(2R)-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 (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]butanal is sourced from PubChem (CID 11077390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).