1-triethylsilylhexan-2-one

C12H26OSi — CID 15033604

IUPAC1-triethylsilylhexan-2-one
SMILESCCCCC(=O)C[Si](CC)(CC)CC
InChIInChI=1S/C12H26OSi/c1-5-9-10-12(13)11-14(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyXMRBTCSPBDUZJE-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.25
Rot. Bonds8

About 1-triethylsilylhexan-2-one

1-triethylsilylhexan-2-one (PubChem CID 15033604) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-triethylsilylhexan-2-one.

Molecular Properties

Compound Name1-triethylsilylhexan-2-one
PubChem CID15033604
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-triethylsilylhexan-2-one
SMILESCCCCC(=O)C[Si](CC)(CC)CC
InChIInChI=1S/C12H26OSi/c1-5-9-10-12(13)11-14(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyXMRBTCSPBDUZJE-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.25
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 1-triethylsilylhexan-2-one?
The IUPAC name of 1-triethylsilylhexan-2-one (CID 15033604) is 1-triethylsilylhexan-2-one.
What is the SMILES notation for 1-triethylsilylhexan-2-one?
The canonical SMILES for 1-triethylsilylhexan-2-one is CCCCC(=O)C[Si](CC)(CC)CC.
What is the InChIKey of 1-triethylsilylhexan-2-one?
The InChIKey is XMRBTCSPBDUZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-5-9-10-12(13)11-14(6-2,7-3)8-4/h5-11H2,1-4H3.
What are the key properties of 1-triethylsilylhexan-2-one?
1-triethylsilylhexan-2-one has a molecular weight of 214.42 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilylhexan-2-one is sourced from PubChem (CID 15033604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).