bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate

C15H34O5Si3 — CID 621459

IUPACbis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate
SMILESCC(CCC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-15(20-23(8,9)10,14(17)19-22(5,6)7)12-11-13(16)18-21(2,3)4/h11-12H2,1-10H3
InChIKeyPFGMYFCTDHOVAO-UHFFFAOYSA-N
MW378.69 g/mol
LogP4.13
Rot. Bonds8

About bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate

bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate (PubChem CID 621459) has the molecular formula C15H34O5Si3 and a molecular weight of 378.69 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate
PubChem CID621459
Molecular FormulaC15H34O5Si3
Molecular Weight378.69 g/mol
Exact Mass378.17
IUPAC Namebis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate
SMILESCC(CCC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-15(20-23(8,9)10,14(17)19-22(5,6)7)12-11-13(16)18-21(2,3)4/h11-12H2,1-10H3
InChIKeyPFGMYFCTDHOVAO-UHFFFAOYSA-N
XLogP4.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
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-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321
2-C-Methylarabinonic acid, pentakis-TMS
CID 523323
3-Deoxy-2-C-hydroxymethyl-erythro-pentaric acid, TMS
CID 523352
3-Deoxy-2-C-hydroxymethyl-threo-pentonic acid, pentakis-TMS
CID 523357
3-Deoxy-2-C-hydroxymethyl-threo-pentaric acid, TMS
CID 91746737
Bis(trimethylsilyl)-2-Methyl-2,4-bis(trimethylsilyloxy)glutarate
CID 553636

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate?
The IUPAC name of bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate (CID 621459) is bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate is CC(CCC(=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-trimethylsilyloxypentanedioate?
The InChIKey is PFGMYFCTDHOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O5Si3/c1-15(20-23(8,9)10,14(17)19-22(5,6)7)12-11-13(16)18-21(2,3)4/h11-12H2,1-10H3.
What are the key properties of bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate?
bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate has a molecular weight of 378.69 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-methyl-2-trimethylsilyloxypentanedioate is sourced from PubChem (CID 621459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).