[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate

C17H36O3Si — CID 10734223

IUPAC[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-11-14(20-21(9,10)17(6,7)8)13(2)12-19-15(18)16(3,4)5/h13-14H,11-12H2,1-10H3/t13-,14+/m1/s1
InChIKeyZGGDEOVVIAOVCF-KGLIPLIRSA-N
MW316.56 g/mol
LogP5.01
Rot. Bonds6

About [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate (PubChem CID 10734223) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate
PubChem CID10734223
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-11-14(20-21(9,10)17(6,7)8)13(2)12-19-15(18)16(3,4)5/h13-14H,11-12H2,1-10H3/t13-,14+/m1/s1
InChIKeyZGGDEOVVIAOVCF-KGLIPLIRSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.01
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 [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate (CID 10734223) is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate?
The InChIKey is ZGGDEOVVIAOVCF-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-11-14(20-21(9,10)17(6,7)8)13(2)12-19-15(18)16(3,4)5/h13-14H,11-12H2,1-10H3/t13-,14+/m1/s1.
What are the key properties of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate?
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate has a molecular weight of 316.56 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10734223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).