trimethylsilyl 4,6-dioxoheptanoate

C10H18O4Si — CID 91697172

IUPACtrimethylsilyl 4,6-dioxoheptanoate
SMILESCC(=O)CC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-8(11)7-9(12)5-6-10(13)14-15(2,3)4/h5-7H2,1-4H3
InChIKeyMBWXMISVSPVDBT-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.69
Rot. Bonds6

About trimethylsilyl 4,6-dioxoheptanoate

trimethylsilyl 4,6-dioxoheptanoate (PubChem CID 91697172) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is trimethylsilyl 4,6-dioxoheptanoate.

Molecular Properties

Compound Nametrimethylsilyl 4,6-dioxoheptanoate
PubChem CID91697172
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Nametrimethylsilyl 4,6-dioxoheptanoate
SMILESCC(=O)CC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-8(11)7-9(12)5-6-10(13)14-15(2,3)4/h5-7H2,1-4H3
InChIKeyMBWXMISVSPVDBT-UHFFFAOYSA-N
XLogP1.69
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethylsilyl 4,6-dioxoheptanoate?
The IUPAC name of trimethylsilyl 4,6-dioxoheptanoate (CID 91697172) is trimethylsilyl 4,6-dioxoheptanoate.
What is the SMILES notation for trimethylsilyl 4,6-dioxoheptanoate?
The canonical SMILES for trimethylsilyl 4,6-dioxoheptanoate is CC(=O)CC(=O)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4,6-dioxoheptanoate?
The InChIKey is MBWXMISVSPVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-8(11)7-9(12)5-6-10(13)14-15(2,3)4/h5-7H2,1-4H3.
What are the key properties of trimethylsilyl 4,6-dioxoheptanoate?
trimethylsilyl 4,6-dioxoheptanoate has a molecular weight of 230.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4,6-dioxoheptanoate is sourced from PubChem (CID 91697172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).