[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate

C19H38O4Si — CID 10882872

IUPAC[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
SMILESCCC(=O)[C@H](C)[C@H](C)OC(=O)[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-11-16(20)13(3)15(5)22-18(21)14(4)17(12-2)23-24(9,10)19(6,7)8/h13-15,17H,11-12H2,1-10H3/t13-,14+,15+,17+/m1/s1
InChIKeyHIZIWFZFZCGJFI-AESZEHBQSA-N
MW358.60 g/mol
LogP4.97
Rot. Bonds9

About [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate

[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate (PubChem CID 10882872) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate.

Molecular Properties

Compound Name[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
PubChem CID10882872
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
SMILESCCC(=O)[C@H](C)[C@H](C)OC(=O)[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-11-16(20)13(3)15(5)22-18(21)14(4)17(12-2)23-24(9,10)19(6,7)8/h13-15,17H,11-12H2,1-10H3/t13-,14+,15+,17+/m1/s1
InChIKeyHIZIWFZFZCGJFI-AESZEHBQSA-N
XLogP4.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (3-(triethoxysilyl)propyl)malonate
CID 89698
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate
CID 58567250
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate
CID 10935553
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
CID 135012524
Ethyl 2-ethyl-3-trimethylsilyloxyvalerate
CID 552933
Ethyl 2-methyl-3-trimethylsiloxyvalerate
CID 552954
Trimethylsilyl 2-ethyl-3-trimethylsilyloxy-4-methyl-valerate
CID 553005
Hexanoic acid, [3-(1,1,2-trimethylpropyl)dimethylsilyloxy-2-(ethoxycarbonyl)]propyl ester
CID 604412
Pentanoic acid, 4-methyl-3-(t-butyldimethylsilyloxy)-, methyl ester
CID 608938

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
The IUPAC name of [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate (CID 10882872) is [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate.
What is the SMILES notation for [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
The canonical SMILES for [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate is CCC(=O)[C@H](C)[C@H](C)OC(=O)[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
The InChIKey is HIZIWFZFZCGJFI-AESZEHBQSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-11-16(20)13(3)15(5)22-18(21)14(4)17(12-2)23-24(9,10)19(6,7)8/h13-15,17H,11-12H2,1-10H3/t13-,14+,15+,17+/m1/s1.
What are the key properties of [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate has a molecular weight of 358.60 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate is sourced from PubChem (CID 10882872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).