1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one

C14H28O2Si — CID 154204019

IUPAC1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)[Si](C)(C)C(=O)CCC(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)7-9-13(15)17(5,6)14(16)10-8-12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyWUQXELHZPANYLG-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.78
Rot. Bonds8

About 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one

1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one (PubChem CID 154204019) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one
PubChem CID154204019
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)[Si](C)(C)C(=O)CCC(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)7-9-13(15)17(5,6)14(16)10-8-12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyWUQXELHZPANYLG-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.78
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 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one?
The IUPAC name of 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one (CID 154204019) is 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one?
The canonical SMILES for 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one is CC(C)CCC(=O)[Si](C)(C)C(=O)CCC(C)C.
What is the InChIKey of 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one?
The InChIKey is WUQXELHZPANYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11(2)7-9-13(15)17(5,6)14(16)10-8-12(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one?
1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one has a molecular weight of 256.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one is sourced from PubChem (CID 154204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).