bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate

C18H42O7Si4 — CID 523343

IUPACbis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate
SMILESCO[C@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H42O7Si4/c1-21-15(17(19)24-28(8,9)10)14(22-26(2,3)4)16(23-27(5,6)7)18(20)25-29(11,12)13/h14-16H,1-13H3/t14-,15-,16+/m0/s1
InChIKeyXHKNNVYRCFXZBF-HRCADAONSA-N
MW482.87 g/mol
LogP4.20
Rot. Bonds11

About bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate

bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate (PubChem CID 523343) has the molecular formula C18H42O7Si4 and a molecular weight of 482.87 g/mol. Its IUPAC name is bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate
PubChem CID523343
Molecular FormulaC18H42O7Si4
Molecular Weight482.87 g/mol
Exact Mass482.20
IUPAC Namebis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate
SMILESCO[C@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H42O7Si4/c1-21-15(17(19)24-28(8,9)10)14(22-26(2,3)4)16(23-27(5,6)7)18(20)25-29(11,12)13/h14-16H,1-13H3/t14-,15-,16+/m0/s1
InChIKeyXHKNNVYRCFXZBF-HRCADAONSA-N
XLogP4.20
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.87
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Xylonic acid, 2,3,4-tris-O-(trimethylsilyl)-, delta-lactone, D-
CID 523413
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
2-Hydroxyglutarate, TBDMS
CID 634802
Lyxonic acid, 1,4-lactone, TMS
CID 6427169
Isocitric acid lactone, 2TBDMS derivative
CID 91696982
1-Ethyl 5-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91713346

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate?
The IUPAC name of bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate (CID 523343) is bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate?
The canonical SMILES for bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate is CO[C@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate?
The InChIKey is XHKNNVYRCFXZBF-HRCADAONSA-N. The full InChI is InChI=1S/C18H42O7Si4/c1-21-15(17(19)24-28(8,9)10)14(22-26(2,3)4)16(23-27(5,6)7)18(20)25-29(11,12)13/h14-16H,1-13H3/t14-,15-,16+/m0/s1.
What are the key properties of bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate?
bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate has a molecular weight of 482.87 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2S,3S,4R)-2-methoxy-3,4-bis(trimethylsilyloxy)pentanedioate is sourced from PubChem (CID 523343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).