4-trimethylsilyldecan-5-one

C13H28OSi — CID 12524697

IUPAC4-trimethylsilyldecan-5-one
SMILESCCCCCC(=O)C(CCC)[Si](C)(C)C
InChIInChI=1S/C13H28OSi/c1-6-8-9-11-12(14)13(10-7-2)15(3,4)5/h13H,6-11H2,1-5H3
InChIKeyPAUJEZDPLQZQJK-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.64
Rot. Bonds8

About 4-trimethylsilyldecan-5-one

4-trimethylsilyldecan-5-one (PubChem CID 12524697) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 4-trimethylsilyldecan-5-one.

Molecular Properties

Compound Name4-trimethylsilyldecan-5-one
PubChem CID12524697
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name4-trimethylsilyldecan-5-one
SMILESCCCCCC(=O)C(CCC)[Si](C)(C)C
InChIInChI=1S/C13H28OSi/c1-6-8-9-11-12(14)13(10-7-2)15(3,4)5/h13H,6-11H2,1-5H3
InChIKeyPAUJEZDPLQZQJK-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyldecan-5-one?
The IUPAC name of 4-trimethylsilyldecan-5-one (CID 12524697) is 4-trimethylsilyldecan-5-one.
What is the SMILES notation for 4-trimethylsilyldecan-5-one?
The canonical SMILES for 4-trimethylsilyldecan-5-one is CCCCCC(=O)C(CCC)[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyldecan-5-one?
The InChIKey is PAUJEZDPLQZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-6-8-9-11-12(14)13(10-7-2)15(3,4)5/h13H,6-11H2,1-5H3.
What are the key properties of 4-trimethylsilyldecan-5-one?
4-trimethylsilyldecan-5-one has a molecular weight of 228.45 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyldecan-5-one is sourced from PubChem (CID 12524697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).