2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione

C12H24O3Si — CID 23594314

IUPAC2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione
SMILESCC(O[Si](C)(C)C)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(15-16(5,6)7)10(13)8-11(14)12(2,3)4/h9H,8H2,1-7H3
InChIKeyHFQADSRPMCEJIL-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.80
Rot. Bonds5

About 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione

2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione (PubChem CID 23594314) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione.

Molecular Properties

Compound Name2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione
PubChem CID23594314
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione
SMILESCC(O[Si](C)(C)C)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(15-16(5,6)7)10(13)8-11(14)12(2,3)4/h9H,8H2,1-7H3
InChIKeyHFQADSRPMCEJIL-UHFFFAOYSA-N
XLogP2.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione?
The IUPAC name of 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione (CID 23594314) is 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione.
What is the SMILES notation for 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione?
The canonical SMILES for 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione is CC(O[Si](C)(C)C)C(=O)CC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione?
The InChIKey is HFQADSRPMCEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(15-16(5,6)7)10(13)8-11(14)12(2,3)4/h9H,8H2,1-7H3.
What are the key properties of 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione?
2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione has a molecular weight of 244.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione is sourced from PubChem (CID 23594314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).