2-trimethylsilylhex-1-en-1-one

C9H18OSi — CID 10931867

IUPAC2-trimethylsilylhex-1-en-1-one
SMILESCCCCC(=C=O)[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-7-9(8-10)11(2,3)4/h5-7H2,1-4H3
InChIKeyWWOZYODFTOAQNT-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.81
Rot. Bonds4

About 2-trimethylsilylhex-1-en-1-one

2-trimethylsilylhex-1-en-1-one (PubChem CID 10931867) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 2-trimethylsilylhex-1-en-1-one.

Molecular Properties

Compound Name2-trimethylsilylhex-1-en-1-one
PubChem CID10931867
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name2-trimethylsilylhex-1-en-1-one
SMILESCCCCC(=C=O)[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-7-9(8-10)11(2,3)4/h5-7H2,1-4H3
InChIKeyWWOZYODFTOAQNT-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylhex-1-en-1-one?
The IUPAC name of 2-trimethylsilylhex-1-en-1-one (CID 10931867) is 2-trimethylsilylhex-1-en-1-one.
What is the SMILES notation for 2-trimethylsilylhex-1-en-1-one?
The canonical SMILES for 2-trimethylsilylhex-1-en-1-one is CCCCC(=C=O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylhex-1-en-1-one?
The InChIKey is WWOZYODFTOAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-5-6-7-9(8-10)11(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-trimethylsilylhex-1-en-1-one?
2-trimethylsilylhex-1-en-1-one has a molecular weight of 170.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylhex-1-en-1-one is sourced from PubChem (CID 10931867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).