dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate

C19H40O6Si2 — CID 54114843

IUPACdibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate
SMILESCCCCOC(=O)C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OCCCC
InChIInChI=1S/C19H40O6Si2/c1-9-11-13-22-17(20)15-16(24-26(3,4)5)18(25-27(6,7)8)19(21)23-14-12-10-2/h16,18H,9-15H2,1-8H3/t16-,18-/m1/s1
InChIKeyNJQAJVJQBLTTTN-SJLPKXTDSA-N
MW420.70 g/mol
LogP4.50
Rot. Bonds14

About dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate

dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate (PubChem CID 54114843) has the molecular formula C19H40O6Si2 and a molecular weight of 420.70 g/mol. Its IUPAC name is dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate.

Molecular Properties

Compound Namedibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate
PubChem CID54114843
Molecular FormulaC19H40O6Si2
Molecular Weight420.70 g/mol
Exact Mass420.24
IUPAC Namedibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate
SMILESCCCCOC(=O)C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OCCCC
InChIInChI=1S/C19H40O6Si2/c1-9-11-13-22-17(20)15-16(24-26(3,4)5)18(25-27(6,7)8)19(21)23-14-12-10-2/h16,18H,9-15H2,1-8H3/t16-,18-/m1/s1
InChIKeyNJQAJVJQBLTTTN-SJLPKXTDSA-N
XLogP4.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.70
LogP ≤ 54.50
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'}

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Xylonic acid, 2,3,4-tris-O-(trimethylsilyl)-, delta-lactone, D-
CID 523413
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
Lyxonic acid, 1,4-lactone, TMS
CID 6427169
1-Ethyl 5-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91713346

Frequently Asked Questions

What is the IUPAC name of dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
The IUPAC name of dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate (CID 54114843) is dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate.
What is the SMILES notation for dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
The canonical SMILES for dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate is CCCCOC(=O)C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OCCCC.
What is the InChIKey of dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
The InChIKey is NJQAJVJQBLTTTN-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H40O6Si2/c1-9-11-13-22-17(20)15-16(24-26(3,4)5)18(25-27(6,7)8)19(21)23-14-12-10-2/h16,18H,9-15H2,1-8H3/t16-,18-/m1/s1.
What are the key properties of dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate has a molecular weight of 420.70 g/mol, XLogP of 4.50, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate is sourced from PubChem (CID 54114843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).