bis(trimethylsilyl) propanedioate;propan-2-one

C12H26O5Si2 — CID 90725859

IUPACbis(trimethylsilyl) propanedioate;propan-2-one
SMILESCC(C)=O.C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O4Si2.C3H6O/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6;1-3(2)4/h7H2,1-6H3;1-2H3
InChIKeyLRWWQBZYMDBVRC-UHFFFAOYSA-N
MW306.51 g/mol
LogP2.73
Rot. Bonds4

About bis(trimethylsilyl) propanedioate;propan-2-one

bis(trimethylsilyl) propanedioate;propan-2-one (PubChem CID 90725859) has the molecular formula C12H26O5Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is bis(trimethylsilyl) propanedioate;propan-2-one.

Molecular Properties

Compound Namebis(trimethylsilyl) propanedioate;propan-2-one
PubChem CID90725859
Molecular FormulaC12H26O5Si2
Molecular Weight306.51 g/mol
Exact Mass306.13
IUPAC Namebis(trimethylsilyl) propanedioate;propan-2-one
SMILESCC(C)=O.C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O4Si2.C3H6O/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6;1-3(2)4/h7H2,1-6H3;1-2H3
InChIKeyLRWWQBZYMDBVRC-UHFFFAOYSA-N
XLogP2.73
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) propanedioate;propan-2-one?
The IUPAC name of bis(trimethylsilyl) propanedioate;propan-2-one (CID 90725859) is bis(trimethylsilyl) propanedioate;propan-2-one.
What is the SMILES notation for bis(trimethylsilyl) propanedioate;propan-2-one?
The canonical SMILES for bis(trimethylsilyl) propanedioate;propan-2-one is CC(C)=O.C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) propanedioate;propan-2-one?
The InChIKey is LRWWQBZYMDBVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si2.C3H6O/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6;1-3(2)4/h7H2,1-6H3;1-2H3.
What are the key properties of bis(trimethylsilyl) propanedioate;propan-2-one?
bis(trimethylsilyl) propanedioate;propan-2-one has a molecular weight of 306.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) propanedioate;propan-2-one is sourced from PubChem (CID 90725859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).