bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate

C21H50O7Si5 — CID 523388

IUPACbis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate
SMILESC[Si](C)(C)OCC(CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17-18(25-30(4,5)6)16-21(28-33(13,14)15,19(22)26-31(7,8)9)20(23)27-32(10,11)12/h18H,16-17H2,1-15H3
InChIKeyZCSYALQZRWXVJO-UHFFFAOYSA-N
MW555.05 g/mol
LogP5.79
Rot. Bonds13

About bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate

bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate (PubChem CID 523388) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate
PubChem CID523388
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Namebis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate
SMILESC[Si](C)(C)OCC(CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17-18(25-30(4,5)6)16-21(28-33(13,14)15,19(22)26-31(7,8)9)20(23)27-32(10,11)12/h18H,16-17H2,1-15H3
InChIKeyZCSYALQZRWXVJO-UHFFFAOYSA-N
XLogP5.79
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate 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

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
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
Arabinonic acid, pentakis-TMS
CID 523307
2-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321
2-C-Methylarabinonic acid, pentakis-TMS
CID 523323
2-C-Methylerythronic acid, tris-TMS
CID 523325
2-Deoxy-threo-pentaric acid, TMS
CID 523333

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate (CID 523388) is bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate is C[Si](C)(C)OCC(CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate?
The InChIKey is ZCSYALQZRWXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-17-18(25-30(4,5)6)16-21(28-33(13,14)15,19(22)26-31(7,8)9)20(23)27-32(10,11)12/h18H,16-17H2,1-15H3.
What are the key properties of bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate?
bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate has a molecular weight of 555.05 g/mol, XLogP of 5.79, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-[2,3-bis(trimethylsilyloxy)propyl]-2-trimethylsilyloxypropanedioate is sourced from PubChem (CID 523388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).