[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate

C15H32O3Si — CID 100942638

IUPAC[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate
SMILESCCC[C@H](OC(C)=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-9-10-14(18-13(3)16)12(2)11-17-19(7,8)15(4,5)6/h12,14H,9-11H2,1-8H3/t12-,14+/m1/s1
InChIKeyWWYYZIJXVLMBJP-OCCSQVGLSA-N
MW288.50 g/mol
LogP4.38
Rot. Bonds7

About [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate

[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate (PubChem CID 100942638) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate
PubChem CID100942638
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate
SMILESCCC[C@H](OC(C)=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-9-10-14(18-13(3)16)12(2)11-17-19(7,8)15(4,5)6/h12,14H,9-11H2,1-8H3/t12-,14+/m1/s1
InChIKeyWWYYZIJXVLMBJP-OCCSQVGLSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.38
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

[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate
CID 14979375
[3-[Tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-yl] acetate
CID 14179743
3-[Tert-butyl(dimethyl)silyl]oxyhexyl acetate
CID 90296295
5-Methylhexyl acetate;trimethyl(2-methylpropyl)silane
CID 123610490
[3-[Tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 140781546
[(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopropyl] acetate
CID 141509915
[(1S,2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopropyl] acetate
CID 141509917
[2-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclopropyl] acetate
CID 141509921
[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 173599124
[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhexan-2-yl] 2,2-dimethylpropanoate
CID 10042310
[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
CID 10521544
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate
CID 10734223

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate?
The IUPAC name of [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate (CID 100942638) is [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate?
The canonical SMILES for [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate is CCC[C@H](OC(C)=O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate?
The InChIKey is WWYYZIJXVLMBJP-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-9-10-14(18-13(3)16)12(2)11-17-19(7,8)15(4,5)6/h12,14H,9-11H2,1-8H3/t12-,14+/m1/s1.
What are the key properties of [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate?
[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate has a molecular weight of 288.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] acetate is sourced from PubChem (CID 100942638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).