2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate

C24H50O6Si2 — CID 46844207

IUPAC2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H](CCC[C@@](C)(O)CC(=O)OCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C24H50O6Si2/c1-10-32(11-2,12-3)30-20(4)18-22(29-21(5)25)14-13-15-24(6,27)19-23(26)28-16-17-31(7,8)9/h20,22,27H,10-19H2,1-9H3/t20-,22+,24-/m1/s1
InChIKeyWJIDOUGBTBOKFV-JCTONOIOSA-N
MW490.83 g/mol
LogP5.91
Rot. Bonds17

About 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate

2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate (PubChem CID 46844207) has the molecular formula C24H50O6Si2 and a molecular weight of 490.83 g/mol. Its IUPAC name is 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate
PubChem CID46844207
Molecular FormulaC24H50O6Si2
Molecular Weight490.83 g/mol
Exact Mass490.31
IUPAC Name2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H](CCC[C@@](C)(O)CC(=O)OCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C24H50O6Si2/c1-10-32(11-2,12-3)30-20(4)18-22(29-21(5)25)14-13-15-24(6,27)19-23(26)28-16-17-31(7,8)9/h20,22,27H,10-19H2,1-9H3/t20-,22+,24-/m1/s1
InChIKeyWJIDOUGBTBOKFV-JCTONOIOSA-N
XLogP5.91
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 11688270
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
(2S,3S,5R)-2-hexyl-3-hydroxy-5-((triisopropylsilyl)oxy)hexadecanoic acid
CID 11353049
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
CID 24767664
(2S,3S,5S)-2-hexyl-3-hydroxy-5-tri(propan-2-yl)silyloxyhexadecanoic acid
CID 25140052
(2S,3S,5R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,5,8,8-tetramethylnonanoic acid
CID 44131793
(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoic acid
CID 54577710
(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoic acid
CID 54578144
(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoic acid
CID 59052189
Methyl (2rs,3rs,5s)-5-[t-butyl(dimethyl)-silyloxy]-2-hexyl-3-hydroxydecanoate
CID 129750031
Methyl (2rs,3rs,5s)-5-{[t-butyl(dimethyl)-silyl]oxy}-2-hexyl-3-hydroxyhexadecanoate
CID 129758874
(3R,4S,5S,6S)-6-[(2S,4R,5R,6R,7R)-4,6-dimethyl-3-oxo-7-triethylsilyloxy-5-trimethylsilyloxyoctan-2-yl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 132553530

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate?
The IUPAC name of 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate (CID 46844207) is 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate.
What is the SMILES notation for 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate?
The canonical SMILES for 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate is CC[Si](CC)(CC)O[C@H](C)C[C@H](CCC[C@@](C)(O)CC(=O)OCC[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate?
The InChIKey is WJIDOUGBTBOKFV-JCTONOIOSA-N. The full InChI is InChI=1S/C24H50O6Si2/c1-10-32(11-2,12-3)30-20(4)18-22(29-21(5)25)14-13-15-24(6,27)19-23(26)28-16-17-31(7,8)9/h20,22,27H,10-19H2,1-9H3/t20-,22+,24-/m1/s1.
What are the key properties of 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate?
2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate has a molecular weight of 490.83 g/mol, XLogP of 5.91, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (3R,7S,9R)-7-acetyloxy-3-hydroxy-3-methyl-9-triethylsilyloxydecanoate is sourced from PubChem (CID 46844207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).