bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate

C18H42O6Si4 — CID 523390

IUPACbis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate
SMILESC[Si](C)(C)OCCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-15-13-14-18(24-28(10,11)12,16(19)22-26(4,5)6)17(20)23-27(7,8)9/h13-15H2,1-12H3
InChIKeyNUFQFSLYLNWIBG-UHFFFAOYSA-N
MW466.87 g/mol
LogP4.96
Rot. Bonds11

About bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate

bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate (PubChem CID 523390) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate
PubChem CID523390
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate
SMILESC[Si](C)(C)OCCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-15-13-14-18(24-28(10,11)12,16(19)22-26(4,5)6)17(20)23-27(7,8)9/h13-15H2,1-12H3
InChIKeyNUFQFSLYLNWIBG-UHFFFAOYSA-N
XLogP4.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Mevalonic acid, triTBDMS
CID 553829
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-Deoxy-threo-pentaric acid, TMS
CID 523333
3-Deoxy-2-C-hydroxymethyl-erythro-pentaric acid, TMS
CID 523352
3-Deoxy-2-C-hydroxymethyl-threo-pentonic acid, pentakis-TMS
CID 523357
Arabinaric acid, (5TMS)-
CID 523386
C-(2,3-Dihydroxypropyl)glyceraric acid, TMS
CID 523388

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate (CID 523390) is bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate is C[Si](C)(C)OCCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate?
The InChIKey is NUFQFSLYLNWIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-25(2,3)21-15-13-14-18(24-28(10,11)12,16(19)22-26(4,5)6)17(20)23-27(7,8)9/h13-15H2,1-12H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate has a molecular weight of 466.87 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(3-trimethylsilyloxypropyl)propanedioate is sourced from PubChem (CID 523390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).