methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate

C15H30O4Si — CID 10935553

IUPACmethyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate
SMILESCOC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(C)=O
InChIInChI=1S/C15H30O4Si/c1-10(12(3)16)13(11(2)14(17)18-7)19-20(8,9)15(4,5)6/h10-11,13H,1-9H3/t10-,11+,13-/m0/s1
InChIKeyHMPPHORRPDFVKH-LOWVWBTDSA-N
MW302.49 g/mol
LogP3.41
Rot. Bonds6

About methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate

methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate (PubChem CID 10935553) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate
PubChem CID10935553
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate
SMILESCOC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(C)=O
InChIInChI=1S/C15H30O4Si/c1-10(12(3)16)13(11(2)14(17)18-7)19-20(8,9)15(4,5)6/h10-11,13H,1-9H3/t10-,11+,13-/m0/s1
InChIKeyHMPPHORRPDFVKH-LOWVWBTDSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate with MolForge

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Related Compounds

[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanoate
CID 11266221
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid
CID 11460855
(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
CID 15547025
(3S)-3-(1-acetylcyclopropyl)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 134917090
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
CID 134744518
2-Trimethylsilylethyl 2-methyl-5-oxohexanoate
CID 22086153
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 57621522
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid
CID 57621523
3-[Tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid
CID 57621524
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 57621525
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one
CID 59682256

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate?
The IUPAC name of methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate (CID 10935553) is methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate.
What is the SMILES notation for methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate?
The canonical SMILES for methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate is COC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(C)=O.
What is the InChIKey of methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate?
The InChIKey is HMPPHORRPDFVKH-LOWVWBTDSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10(12(3)16)13(11(2)14(17)18-7)19-20(8,9)15(4,5)6/h10-11,13H,1-9H3/t10-,11+,13-/m0/s1.
What are the key properties of methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate?
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate has a molecular weight of 302.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate is sourced from PubChem (CID 10935553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).