bis(trimethylsilyl) 3-acetylpentanedioate

C13H26O5Si2 — CID 91749506

IUPACbis(trimethylsilyl) 3-acetylpentanedioate
SMILESCC(=O)C(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H26O5Si2/c1-10(14)11(8-12(15)17-19(2,3)4)9-13(16)18-20(5,6)7/h11H,8-9H2,1-7H3
InChIKeyYGKHPPWRQBEGIB-UHFFFAOYSA-N
MW318.52 g/mol
LogP2.73
Rot. Bonds7

About bis(trimethylsilyl) 3-acetylpentanedioate

bis(trimethylsilyl) 3-acetylpentanedioate (PubChem CID 91749506) has the molecular formula C13H26O5Si2 and a molecular weight of 318.52 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-acetylpentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-acetylpentanedioate
PubChem CID91749506
Molecular FormulaC13H26O5Si2
Molecular Weight318.52 g/mol
Exact Mass318.13
IUPAC Namebis(trimethylsilyl) 3-acetylpentanedioate
SMILESCC(=O)C(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H26O5Si2/c1-10(14)11(8-12(15)17-19(2,3)4)9-13(16)18-20(5,6)7/h11H,8-9H2,1-7H3
InChIKeyYGKHPPWRQBEGIB-UHFFFAOYSA-N
XLogP2.73
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.52
LogP ≤ 52.73
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-, bis(trimethylsilyl) ester
CID 521632
Tris(trimethylsilyl) 1,2,3-propanetricarboxylate
CID 530425
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
2-Ketopentanedioic acid ditms
CID 530074
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
METHYLCITRIC ACID (I) diTMS
CID 91749483
3-acetyl hexanedioic acid, TMS ester
CID 91749503
3-isopropyl pentanedioic acid, TMS ester
CID 91749507
Glutaric acid, 3-ethyl-, bis(trimethylsilyl) ester
CID 553042

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-acetylpentanedioate?
The IUPAC name of bis(trimethylsilyl) 3-acetylpentanedioate (CID 91749506) is bis(trimethylsilyl) 3-acetylpentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-acetylpentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-acetylpentanedioate is CC(=O)C(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-acetylpentanedioate?
The InChIKey is YGKHPPWRQBEGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si2/c1-10(14)11(8-12(15)17-19(2,3)4)9-13(16)18-20(5,6)7/h11H,8-9H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 3-acetylpentanedioate?
bis(trimethylsilyl) 3-acetylpentanedioate has a molecular weight of 318.52 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-acetylpentanedioate is sourced from PubChem (CID 91749506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).