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

C24H50O7Si2 — CID 46844205

IUPAC2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H](CCC[C@@](C)(O)[C@H](O)C(=O)OCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C24H50O7Si2/c1-10-33(11-2,12-3)31-19(4)18-21(30-20(5)25)14-13-15-24(6,28)22(26)23(27)29-16-17-32(7,8)9/h19,21-22,26,28H,10-18H2,1-9H3/t19-,21+,22-,24-/m1/s1
InChIKeyCOWSQEWDDIUCJB-NQRVTCLYSA-N
MW506.83 g/mol
LogP4.88
Rot. Bonds17

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

2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate (PubChem CID 46844205) has the molecular formula C24H50O7Si2 and a molecular weight of 506.83 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate
PubChem CID46844205
Molecular FormulaC24H50O7Si2
Molecular Weight506.83 g/mol
Exact Mass506.31
IUPAC Name2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H](CCC[C@@](C)(O)[C@H](O)C(=O)OCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C24H50O7Si2/c1-10-33(11-2,12-3)31-19(4)18-21(30-20(5)25)14-13-15-24(6,28)22(26)23(27)29-16-17-32(7,8)9/h19,21-22,26,28H,10-18H2,1-9H3/t19-,21+,22-,24-/m1/s1
InChIKeyCOWSQEWDDIUCJB-NQRVTCLYSA-N
XLogP4.88
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.83
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R,7S,9R)-7-acetyloxy-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyldecanoic acid
CID 10572505
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate
CID 163433523
2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
CID 15363461
5-hydroxyheptan-2-yl acetate
CID 22892695
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate
CID 23547164
1-trimethylsilylbutan-2-yl acetate
CID 20661380
2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
CID 59061501

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate?
The IUPAC name of 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate (CID 46844205) is 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate.
What is the SMILES notation for 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate?
The canonical SMILES for 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate is CC[Si](CC)(CC)O[C@H](C)C[C@H](CCC[C@@](C)(O)[C@H](O)C(=O)OCC[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate?
The InChIKey is COWSQEWDDIUCJB-NQRVTCLYSA-N. The full InChI is InChI=1S/C24H50O7Si2/c1-10-33(11-2,12-3)31-19(4)18-21(30-20(5)25)14-13-15-24(6,28)22(26)23(27)29-16-17-32(7,8)9/h19,21-22,26,28H,10-18H2,1-9H3/t19-,21+,22-,24-/m1/s1.
What are the key properties of 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate?
2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate has a molecular weight of 506.83 g/mol, XLogP of 4.88, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2S,3R,7S,9R)-7-acetyloxy-2,3-dihydroxy-3-methyl-9-triethylsilyloxydecanoate is sourced from PubChem (CID 46844205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).