methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate

C17H36O6Si — CID 15658841

IUPACmethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate
SMILESCOCCOCOCC[C@@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O6Si/c1-17(2,3)24(6,7)23-15(8-9-16(18)20-5)10-11-21-14-22-13-12-19-4/h15H,8-14H2,1-7H3/t15-/m1/s1
InChIKeyOKYQTPZHSWEWHZ-OAHLLOKOSA-N
MW364.56 g/mol
LogP3.36
Rot. Bonds13

About methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate

methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate (PubChem CID 15658841) has the molecular formula C17H36O6Si and a molecular weight of 364.56 g/mol. Its IUPAC name is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate.

Molecular Properties

Compound Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate
PubChem CID15658841
Molecular FormulaC17H36O6Si
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate
SMILESCOCCOCOCC[C@@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O6Si/c1-17(2,3)24(6,7)23-15(8-9-16(18)20-5)10-11-21-14-22-13-12-19-4/h15H,8-14H2,1-7H3/t15-/m1/s1
InChIKeyOKYQTPZHSWEWHZ-OAHLLOKOSA-N
XLogP3.36
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate?
The IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate (CID 15658841) is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate.
What is the SMILES notation for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate?
The canonical SMILES for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate is COCCOCOCC[C@@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate?
The InChIKey is OKYQTPZHSWEWHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H36O6Si/c1-17(2,3)24(6,7)23-15(8-9-16(18)20-5)10-11-21-14-22-13-12-19-4/h15H,8-14H2,1-7H3/t15-/m1/s1.
What are the key properties of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate?
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate has a molecular weight of 364.56 g/mol, XLogP of 3.36, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hexanoate is sourced from PubChem (CID 15658841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).