2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one

C11H24O2Si — CID 86086046

IUPAC2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2,3)9(12)11(4,5)13-14(6,7)8/h1-8H3
InChIKeyCVMUIXFGQDPXMG-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds3

About 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one

2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one (PubChem CID 86086046) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one.

Molecular Properties

Compound Name2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one
PubChem CID86086046
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2,3)9(12)11(4,5)13-14(6,7)8/h1-8H3
InChIKeyCVMUIXFGQDPXMG-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.23
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 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one?
The IUPAC name of 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one (CID 86086046) is 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one.
What is the SMILES notation for 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one?
The canonical SMILES for 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one is CC(C)(C)C(=O)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one?
The InChIKey is CVMUIXFGQDPXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(2,3)9(12)11(4,5)13-14(6,7)8/h1-8H3.
What are the key properties of 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one?
2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one has a molecular weight of 216.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-trimethylsilyloxypentan-3-one is sourced from PubChem (CID 86086046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).