methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate

C14H30O4Si — CID 11369794

IUPACmethyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)CO)[C@@H](C)C(=O)OC
InChIInChI=1S/C14H30O4Si/c1-7-19(8-2,9-3)18-13(11(4)10-15)12(5)14(16)17-6/h11-13,15H,7-10H2,1-6H3/t11-,12+,13-/m0/s1
InChIKeyMUSLKFFTJDNHPJ-XQQFMLRXSA-N
MW290.48 g/mol
LogP2.81
Rot. Bonds9

About methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate

methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate (PubChem CID 11369794) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate.

Molecular Properties

Compound Namemethyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate
PubChem CID11369794
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Namemethyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)CO)[C@@H](C)C(=O)OC
InChIInChI=1S/C14H30O4Si/c1-7-19(8-2,9-3)18-13(11(4)10-15)12(5)14(16)17-6/h11-13,15H,7-10H2,1-6H3/t11-,12+,13-/m0/s1
InChIKeyMUSLKFFTJDNHPJ-XQQFMLRXSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate?
The IUPAC name of methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate (CID 11369794) is methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate.
What is the SMILES notation for methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate?
The canonical SMILES for methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate is CC[Si](CC)(CC)O[C@@H]([C@@H](C)CO)[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate?
The InChIKey is MUSLKFFTJDNHPJ-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-7-19(8-2,9-3)18-13(11(4)10-15)12(5)14(16)17-6/h11-13,15H,7-10H2,1-6H3/t11-,12+,13-/m0/s1.
What are the key properties of methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate?
methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate has a molecular weight of 290.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate is sourced from PubChem (CID 11369794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).