1-triethylsilylpentane-1,3-dione

C11H22O2Si — CID 101255809

IUPAC1-triethylsilylpentane-1,3-dione
SMILESCCC(=O)CC(=O)[Si](CC)(CC)CC
InChIInChI=1S/C11H22O2Si/c1-5-10(12)9-11(13)14(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyYSBJHVSCILXXPI-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.97
Rot. Bonds7

About 1-triethylsilylpentane-1,3-dione

1-triethylsilylpentane-1,3-dione (PubChem CID 101255809) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-triethylsilylpentane-1,3-dione.

Molecular Properties

Compound Name1-triethylsilylpentane-1,3-dione
PubChem CID101255809
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name1-triethylsilylpentane-1,3-dione
SMILESCCC(=O)CC(=O)[Si](CC)(CC)CC
InChIInChI=1S/C11H22O2Si/c1-5-10(12)9-11(13)14(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyYSBJHVSCILXXPI-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-triethylsilylpentane-1,3-dione?
The IUPAC name of 1-triethylsilylpentane-1,3-dione (CID 101255809) is 1-triethylsilylpentane-1,3-dione.
What is the SMILES notation for 1-triethylsilylpentane-1,3-dione?
The canonical SMILES for 1-triethylsilylpentane-1,3-dione is CCC(=O)CC(=O)[Si](CC)(CC)CC.
What is the InChIKey of 1-triethylsilylpentane-1,3-dione?
The InChIKey is YSBJHVSCILXXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-10(12)9-11(13)14(6-2,7-3)8-4/h5-9H2,1-4H3.
What are the key properties of 1-triethylsilylpentane-1,3-dione?
1-triethylsilylpentane-1,3-dione has a molecular weight of 214.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilylpentane-1,3-dione is sourced from PubChem (CID 101255809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).