[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate

C18H36O6Si — CID 10523606

IUPAC[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate
SMILESCOCO[C@@H](CC=O)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O6Si/c1-17(2,3)16(20)22-12-15(14(10-11-19)23-13-21-7)24-25(8,9)18(4,5)6/h11,14-15H,10,12-13H2,1-9H3/t14-,15+/m0/s1
InChIKeyIAQDORDTCXOAQH-LSDHHAIUSA-N
MW376.57 g/mol
LogP3.54
Rot. Bonds10

About [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate

[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate (PubChem CID 10523606) has the molecular formula C18H36O6Si and a molecular weight of 376.57 g/mol. Its IUPAC name is [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate
PubChem CID10523606
Molecular FormulaC18H36O6Si
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate
SMILESCOCO[C@@H](CC=O)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O6Si/c1-17(2,3)16(20)22-12-15(14(10-11-19)23-13-21-7)24-25(8,9)18(4,5)6/h11,14-15H,10,12-13H2,1-9H3/t14-,15+/m0/s1
InChIKeyIAQDORDTCXOAQH-LSDHHAIUSA-N
XLogP3.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate (CID 10523606) is [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate is COCO[C@@H](CC=O)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate?
The InChIKey is IAQDORDTCXOAQH-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H36O6Si/c1-17(2,3)16(20)22-12-15(14(10-11-19)23-13-21-7)24-25(8,9)18(4,5)6/h11,14-15H,10,12-13H2,1-9H3/t14-,15+/m0/s1.
What are the key properties of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate?
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate has a molecular weight of 376.57 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10523606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).