diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate

C16H32O5Si — CID 10735356

IUPACdiethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate
SMILESCCCCC[C@@H](C(=O)OCC)[C@H](O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H32O5Si/c1-7-10-11-12-13(15(17)19-8-2)14(16(18)20-9-3)21-22(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyGMHMLMFMTSQCOU-KGLIPLIRSA-N
MW332.51 g/mol
LogP3.53
Rot. Bonds11

About diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate

diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate (PubChem CID 10735356) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namediethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate
PubChem CID10735356
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namediethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate
SMILESCCCCC[C@@H](C(=O)OCC)[C@H](O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H32O5Si/c1-7-10-11-12-13(15(17)19-8-2)14(16(18)20-9-3)21-22(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyGMHMLMFMTSQCOU-KGLIPLIRSA-N
XLogP3.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycarbonyl-2-methylnonanoic acid
CID 15605725
2,3-Bis(trimethylsilyloxy)-4-methyloctanoic acid methyl ester
CID 129717592
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyloctanoate
CID 135069748
Hexadecanoic acid, 14-methyl-2-trimethylsilyloxy, methyl ester
CID 530314
Hexadecanoic acid, 15-methyl-2-trimethylsilyloxy, methyl ester
CID 530315
Hexadecanoic acid, 6-methyl-2-trimethylsilyloxy, methyl ester
CID 530321
Glycerol, mono-(14-methyleicosanoate), bis-TMS
CID 91747626
Glycerol, mono-(14-methylheptadecanoate), bis-TMS
CID 91747627
Glycerol, mono-(14-methylhexadecanoate), bis-TMS
CID 91747628
Glycerol, mono-(2,14-dimethylhexadecanoate), bis-TMS
CID 91747629
Tetradecanoic acid, 2-hydroxy-13-methyl, methyl ester, TMS
CID 91748930
Glycerol, 1-ai-C15, 2-ai-C15, TMS
CID 91749534

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate?
The IUPAC name of diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate (CID 10735356) is diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate.
What is the SMILES notation for diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate?
The canonical SMILES for diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate is CCCCC[C@@H](C(=O)OCC)[C@H](O[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate?
The InChIKey is GMHMLMFMTSQCOU-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-7-10-11-12-13(15(17)19-8-2)14(16(18)20-9-3)21-22(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate?
diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate has a molecular weight of 332.51 g/mol, XLogP of 3.53, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate is sourced from PubChem (CID 10735356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).