bis(trimethylsilyl) 3-methoxypentanedioate

C12H26O5Si2 — CID 91747825

IUPACbis(trimethylsilyl) 3-methoxypentanedioate
SMILESCOC(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-15-10(8-11(13)16-18(2,3)4)9-12(14)17-19(5,6)7/h10H,8-9H2,1-7H3
InChIKeyJNJRCEAJAKEGFB-UHFFFAOYSA-N
MW306.51 g/mol
LogP2.54
Rot. Bonds7

About bis(trimethylsilyl) 3-methoxypentanedioate

bis(trimethylsilyl) 3-methoxypentanedioate (PubChem CID 91747825) has the molecular formula C12H26O5Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-methoxypentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-methoxypentanedioate
PubChem CID91747825
Molecular FormulaC12H26O5Si2
Molecular Weight306.51 g/mol
Exact Mass306.13
IUPAC Namebis(trimethylsilyl) 3-methoxypentanedioate
SMILESCOC(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-15-10(8-11(13)16-18(2,3)4)9-12(14)17-19(5,6)7/h10H,8-9H2,1-7H3
InChIKeyJNJRCEAJAKEGFB-UHFFFAOYSA-N
XLogP2.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-methoxypentanedioate?
The IUPAC name of bis(trimethylsilyl) 3-methoxypentanedioate (CID 91747825) is bis(trimethylsilyl) 3-methoxypentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-methoxypentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-methoxypentanedioate is COC(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-methoxypentanedioate?
The InChIKey is JNJRCEAJAKEGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si2/c1-15-10(8-11(13)16-18(2,3)4)9-12(14)17-19(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 3-methoxypentanedioate?
bis(trimethylsilyl) 3-methoxypentanedioate has a molecular weight of 306.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-methoxypentanedioate is sourced from PubChem (CID 91747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).