4,4-dideuterio-1-trimethylsilylpentan-3-one

C8H18OSi — CID 100921791

IUPAC4,4-dideuterio-1-trimethylsilylpentan-3-one
SMILES[2H]C([2H])(C)C(=O)CC[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-5-8(9)6-7-10(2,3)4/h5-7H2,1-4H3/i5D2
InChIKeyPFJJOCOENQIHCN-BFWBPSQCSA-N
MW160.33 g/mol
LogP2.69
Rot. Bonds4

About 4,4-dideuterio-1-trimethylsilylpentan-3-one

4,4-dideuterio-1-trimethylsilylpentan-3-one (PubChem CID 100921791) has the molecular formula C8H18OSi and a molecular weight of 160.33 g/mol. Its IUPAC name is 4,4-dideuterio-1-trimethylsilylpentan-3-one.

Molecular Properties

Compound Name4,4-dideuterio-1-trimethylsilylpentan-3-one
PubChem CID100921791
Molecular FormulaC8H18OSi
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name4,4-dideuterio-1-trimethylsilylpentan-3-one
SMILES[2H]C([2H])(C)C(=O)CC[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-5-8(9)6-7-10(2,3)4/h5-7H2,1-4H3/i5D2
InChIKeyPFJJOCOENQIHCN-BFWBPSQCSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4-dideuterio-1-trimethylsilylpentan-3-one?
The IUPAC name of 4,4-dideuterio-1-trimethylsilylpentan-3-one (CID 100921791) is 4,4-dideuterio-1-trimethylsilylpentan-3-one.
What is the SMILES notation for 4,4-dideuterio-1-trimethylsilylpentan-3-one?
The canonical SMILES for 4,4-dideuterio-1-trimethylsilylpentan-3-one is [2H]C([2H])(C)C(=O)CC[Si](C)(C)C.
What is the InChIKey of 4,4-dideuterio-1-trimethylsilylpentan-3-one?
The InChIKey is PFJJOCOENQIHCN-BFWBPSQCSA-N. The full InChI is InChI=1S/C8H18OSi/c1-5-8(9)6-7-10(2,3)4/h5-7H2,1-4H3/i5D2.
What are the key properties of 4,4-dideuterio-1-trimethylsilylpentan-3-one?
4,4-dideuterio-1-trimethylsilylpentan-3-one has a molecular weight of 160.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-1-trimethylsilylpentan-3-one is sourced from PubChem (CID 100921791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).