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

C15H32O3Si — CID 134744518

IUPACmethyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate
SMILESCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC
InChIInChI=1S/C15H32O3Si/c1-10-11(2)13(12(3)14(16)17-7)18-19(8,9)15(4,5)6/h11-13H,10H2,1-9H3/t11-,12-,13-/m0/s1
InChIKeyKOCLWUYPTOWPJL-AVGNSLFASA-N
MW288.50 g/mol
LogP4.23
Rot. Bonds6

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

methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate (PubChem CID 134744518) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate.

Molecular Properties

Compound Namemethyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate
PubChem CID134744518
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Namemethyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate
SMILESCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC
InChIInChI=1S/C15H32O3Si/c1-10-11(2)13(12(3)14(16)17-7)18-19(8,9)15(4,5)6/h11-13H,10H2,1-9H3/t11-,12-,13-/m0/s1
InChIKeyKOCLWUYPTOWPJL-AVGNSLFASA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate?
The IUPAC name of methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate (CID 134744518) is methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate.
What is the SMILES notation for methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate?
The canonical SMILES for methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate is CC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate?
The InChIKey is KOCLWUYPTOWPJL-AVGNSLFASA-N. The full InChI is InChI=1S/C15H32O3Si/c1-10-11(2)13(12(3)14(16)17-7)18-19(8,9)15(4,5)6/h11-13H,10H2,1-9H3/t11-,12-,13-/m0/s1.
What are the key properties of methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate?
methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate has a molecular weight of 288.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoate is sourced from PubChem (CID 134744518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).