[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate

C11H24O3Si — CID 14979375

IUPAC[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate
SMILESCC(=O)O[C@H](C)C[C@H](C)CO[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(8-13-15(4,5)6)7-10(2)14-11(3)12/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyWVDRJYJPJBRTBS-VHSXEESVSA-N
MW232.40 g/mol
LogP2.82
Rot. Bonds6

About [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate

[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate (PubChem CID 14979375) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate
PubChem CID14979375
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate
SMILESCC(=O)O[C@H](C)C[C@H](C)CO[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(8-13-15(4,5)6)7-10(2)14-11(3)12/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyWVDRJYJPJBRTBS-VHSXEESVSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
CID 56971428
(4S)-2-methylpentane-1,4-diyl diacetate
CID 168011223
(4-Methoxy-2-methylpentyl) acetate
CID 150259275
(4-Methoxy-2-methylpentyl) propanoate
CID 174788050
2,4-Dimethylpentan-3-yl 2-trimethylsilylacetate
CID 11413585
[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate
CID 100942638

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate?
The IUPAC name of [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate (CID 14979375) is [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate.
What is the SMILES notation for [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate?
The canonical SMILES for [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate is CC(=O)O[C@H](C)C[C@H](C)CO[Si](C)(C)C.
What is the InChIKey of [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate?
The InChIKey is WVDRJYJPJBRTBS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(8-13-15(4,5)6)7-10(2)14-11(3)12/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1.
What are the key properties of [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate?
[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate has a molecular weight of 232.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate is sourced from PubChem (CID 14979375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).