bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate

C18H42O6Si4 — CID 553636

IUPACbis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate
SMILESCC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-18(24-28(11,12)13,17(20)23-27(8,9)10)14-15(21-25(2,3)4)16(19)22-26(5,6)7/h15H,14H2,1-13H3
InChIKeyDREBYTFSFSHNDA-UHFFFAOYSA-N
MW466.87 g/mol
LogP4.96
Rot. Bonds10

About bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate

bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate (PubChem CID 553636) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate
PubChem CID553636
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Namebis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate
SMILESCC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-18(24-28(11,12)13,17(20)23-27(8,9)10)14-15(21-25(2,3)4)16(19)22-26(5,6)7/h15H,14H2,1-13H3
InChIKeyDREBYTFSFSHNDA-UHFFFAOYSA-N
XLogP4.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
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
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
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

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate?
The IUPAC name of bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate (CID 553636) is bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate is CC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate?
The InChIKey is DREBYTFSFSHNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-18(24-28(11,12)13,17(20)23-27(8,9)10)14-15(21-25(2,3)4)16(19)22-26(5,6)7/h15H,14H2,1-13H3.
What are the key properties of bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate?
bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate has a molecular weight of 466.87 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-methyl-2,4-bis(trimethylsilyloxy)pentanedioate is sourced from PubChem (CID 553636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).