bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate

C14H32O5Si3 — CID 523314

IUPACbis(trimethylsilyl) 3-trimethylsilyloxypentanedioate
SMILESC[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-12(10-13(15)18-21(4,5)6)11-14(16)19-22(7,8)9/h12H,10-11H2,1-9H3
InChIKeyRJMRWIUUBIKMHF-UHFFFAOYSA-N
MW364.66 g/mol
LogP3.74
Rot. Bonds8

About bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate

bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate (PubChem CID 523314) has the molecular formula C14H32O5Si3 and a molecular weight of 364.66 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-trimethylsilyloxypentanedioate
PubChem CID523314
Molecular FormulaC14H32O5Si3
Molecular Weight364.66 g/mol
Exact Mass364.16
IUPAC Namebis(trimethylsilyl) 3-trimethylsilyloxypentanedioate
SMILESC[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-12(10-13(15)18-21(4,5)6)11-14(16)19-22(7,8)9/h12H,10-11H2,1-9H3
InChIKeyRJMRWIUUBIKMHF-UHFFFAOYSA-N
XLogP3.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.74
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

Pentanedioic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521668
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
Dimethyl 3-triethylsilyloxypentanedioate
CID 11716231
Arabinonic acid, pentakis-TMS
CID 523307
2,5-Dideoxypentonic acid, tris-TMS
CID 523318
2-Deoxy-threo-pentaric acid, TMS
CID 523333
Arabinaric acid, (5TMS)-
CID 523386
Ribaric acid, TMS
CID 523409
3-Hydroxyglutaric acid, triTBDMS
CID 6430555

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate?
The IUPAC name of bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate (CID 523314) is bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate is C[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate?
The InChIKey is RJMRWIUUBIKMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O5Si3/c1-20(2,3)17-12(10-13(15)18-21(4,5)6)11-14(16)19-22(7,8)9/h12H,10-11H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate?
bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate has a molecular weight of 364.66 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-trimethylsilyloxypentanedioate is sourced from PubChem (CID 523314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).