1-trimethylsilylhexane-1,5-dione

C9H18O2Si — CID 10397556

IUPAC1-trimethylsilylhexane-1,5-dione
SMILESCC(=O)CCCC(=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(10)6-5-7-9(11)12(2,3)4/h5-7H2,1-4H3
InChIKeyBDQOMUWMXQKCBF-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.19
Rot. Bonds5

About 1-trimethylsilylhexane-1,5-dione

1-trimethylsilylhexane-1,5-dione (PubChem CID 10397556) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-trimethylsilylhexane-1,5-dione.

Molecular Properties

Compound Name1-trimethylsilylhexane-1,5-dione
PubChem CID10397556
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name1-trimethylsilylhexane-1,5-dione
SMILESCC(=O)CCCC(=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(10)6-5-7-9(11)12(2,3)4/h5-7H2,1-4H3
InChIKeyBDQOMUWMXQKCBF-UHFFFAOYSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Trimethylsilyl)cyclohexanone
CID 4060849
Cyclohexanone, 3-(trimethylsilyl)-
CID 10964964
Cyclohexan-1,3-dione, 5-[fluoro-dimethylsilyl]-
CID 555665
6-Trimethylsilylhexan-2-one
CID 10080847
2-Trimethylsilylcyclohexan-1-one
CID 12705672
1-Triethylsilyloctan-3-one
CID 10332003
4-Trimethylsilyldecan-5-one
CID 12524697
2-Triethylsilylcyclohexan-1-one
CID 12700723
2-[Dimethyl(propan-2-yl)silyl]cyclohexan-1-one
CID 12700724
1-(Trimethylsilyl)heptan-2-one
CID 12716808
1-(Triethylsilyl)hexan-2-one
CID 15033604
3-Trimethylsilylhexan-2-one
CID 85840223

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylhexane-1,5-dione?
The IUPAC name of 1-trimethylsilylhexane-1,5-dione (CID 10397556) is 1-trimethylsilylhexane-1,5-dione.
What is the SMILES notation for 1-trimethylsilylhexane-1,5-dione?
The canonical SMILES for 1-trimethylsilylhexane-1,5-dione is CC(=O)CCCC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylhexane-1,5-dione?
The InChIKey is BDQOMUWMXQKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(10)6-5-7-9(11)12(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-trimethylsilylhexane-1,5-dione?
1-trimethylsilylhexane-1,5-dione has a molecular weight of 186.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylhexane-1,5-dione is sourced from PubChem (CID 10397556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).