3-dimethylsilyloxyheptan-2-one

C9H20O2Si — CID 154311165

IUPAC3-dimethylsilyloxyheptan-2-one
SMILESCCCCC(O[SiH](C)C)C(C)=O
InChIInChI=1S/C9H20O2Si/c1-5-6-7-9(8(2)10)11-12(3)4/h9,12H,5-7H2,1-4H3
InChIKeyBZIZDSZNGRHSEA-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.13
Rot. Bonds6

About 3-dimethylsilyloxyheptan-2-one

3-dimethylsilyloxyheptan-2-one (PubChem CID 154311165) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-dimethylsilyloxyheptan-2-one.

Molecular Properties

Compound Name3-dimethylsilyloxyheptan-2-one
PubChem CID154311165
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-dimethylsilyloxyheptan-2-one
SMILESCCCCC(O[SiH](C)C)C(C)=O
InChIInChI=1S/C9H20O2Si/c1-5-6-7-9(8(2)10)11-12(3)4/h9,12H,5-7H2,1-4H3
InChIKeyBZIZDSZNGRHSEA-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-dimethylsilyloxyheptan-2-one?
The IUPAC name of 3-dimethylsilyloxyheptan-2-one (CID 154311165) is 3-dimethylsilyloxyheptan-2-one.
What is the SMILES notation for 3-dimethylsilyloxyheptan-2-one?
The canonical SMILES for 3-dimethylsilyloxyheptan-2-one is CCCCC(O[SiH](C)C)C(C)=O.
What is the InChIKey of 3-dimethylsilyloxyheptan-2-one?
The InChIKey is BZIZDSZNGRHSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-7-9(8(2)10)11-12(3)4/h9,12H,5-7H2,1-4H3.
What are the key properties of 3-dimethylsilyloxyheptan-2-one?
3-dimethylsilyloxyheptan-2-one has a molecular weight of 188.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylsilyloxyheptan-2-one is sourced from PubChem (CID 154311165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).