4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate

C38H60O7Si2 — CID 102392249

IUPAC4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate
SMILESCCCC[C@](CCC=O)(OC(=O)CCC(=O)OCC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C38H60O7Si2/c1-9-14-28-38(29-21-30-39,44-36(41)27-26-35(40)42-10-2)34(45-46(11-3,12-4)13-5)31-43-47(37(6,7)8,32-22-17-15-18-23-32)33-24-19-16-20-25-33/h15-20,22-25,30,34H,9-14,21,26-29,31H2,1-8H3/t34-,38+/m0/s1
InChIKeyINMRGBKGWOXQFA-HCJVMEMPSA-N
MW685.06 g/mol
LogP7.75
Rot. Bonds22

About 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate

4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate (PubChem CID 102392249) has the molecular formula C38H60O7Si2 and a molecular weight of 685.06 g/mol. Its IUPAC name is 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate.

Molecular Properties

Compound Name4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate
PubChem CID102392249
Molecular FormulaC38H60O7Si2
Molecular Weight685.06 g/mol
Exact Mass684.39
IUPAC Name4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate
SMILESCCCC[C@](CCC=O)(OC(=O)CCC(=O)OCC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C38H60O7Si2/c1-9-14-28-38(29-21-30-39,44-36(41)27-26-35(40)42-10-2)34(45-46(11-3,12-4)13-5)31-43-47(37(6,7)8,32-22-17-15-18-23-32)33-24-19-16-20-25-33/h15-20,22-25,30,34H,9-14,21,26-29,31H2,1-8H3/t34-,38+/m0/s1
InChIKeyINMRGBKGWOXQFA-HCJVMEMPSA-N
XLogP7.75
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.06
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate with MolForge

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Related Compounds

(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one
CID 11409860
[(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate
CID 11612588
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
CID 71523783
(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one
CID 71523785
(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal
CID 102089639
diethyl (3S,7S)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-bis[dimethyl(phenyl)silyl]nonanedioate
CID 102597806
1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one
CID 134851825
1-[(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one
CID 134851974
[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate
CID 134873509
(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one
CID 134917633
(6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one
CID 134974933
ethyl 3-[(2R)-2-butyl-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-3,4-dihydropyran-6-yl]propanoate
CID 134974935

Frequently Asked Questions

What is the IUPAC name of 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate?
The IUPAC name of 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate (CID 102392249) is 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate.
What is the SMILES notation for 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate?
The canonical SMILES for 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate is CCCC[C@](CCC=O)(OC(=O)CCC(=O)OCC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate?
The InChIKey is INMRGBKGWOXQFA-HCJVMEMPSA-N. The full InChI is InChI=1S/C38H60O7Si2/c1-9-14-28-38(29-21-30-39,44-36(41)27-26-35(40)42-10-2)34(45-46(11-3,12-4)13-5)31-43-47(37(6,7)8,32-22-17-15-18-23-32)33-24-19-16-20-25-33/h15-20,22-25,30,34H,9-14,21,26-29,31H2,1-8H3/t34-,38+/m0/s1.
What are the key properties of 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate?
4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate has a molecular weight of 685.06 g/mol, XLogP of 7.75, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate is sourced from PubChem (CID 102392249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).