4-methyl-1-trimethylsilylpentane-1,3-dione

C9H18O2Si — CID 18710582

IUPAC4-methyl-1-trimethylsilylpentane-1,3-dione
SMILESCC(C)C(=O)CC(=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-7(2)8(10)6-9(11)12(3,4)5/h7H,6H2,1-5H3
InChIKeyXZEAZXRIPKFPIX-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.05
Rot. Bonds4

About 4-methyl-1-trimethylsilylpentane-1,3-dione

4-methyl-1-trimethylsilylpentane-1,3-dione (PubChem CID 18710582) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 4-methyl-1-trimethylsilylpentane-1,3-dione.

Molecular Properties

Compound Name4-methyl-1-trimethylsilylpentane-1,3-dione
PubChem CID18710582
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name4-methyl-1-trimethylsilylpentane-1,3-dione
SMILESCC(C)C(=O)CC(=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-7(2)8(10)6-9(11)12(3,4)5/h7H,6H2,1-5H3
InChIKeyXZEAZXRIPKFPIX-UHFFFAOYSA-N
XLogP2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.05
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 4-methyl-1-trimethylsilylpentane-1,3-dione?
The IUPAC name of 4-methyl-1-trimethylsilylpentane-1,3-dione (CID 18710582) is 4-methyl-1-trimethylsilylpentane-1,3-dione.
What is the SMILES notation for 4-methyl-1-trimethylsilylpentane-1,3-dione?
The canonical SMILES for 4-methyl-1-trimethylsilylpentane-1,3-dione is CC(C)C(=O)CC(=O)[Si](C)(C)C.
What is the InChIKey of 4-methyl-1-trimethylsilylpentane-1,3-dione?
The InChIKey is XZEAZXRIPKFPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-7(2)8(10)6-9(11)12(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 4-methyl-1-trimethylsilylpentane-1,3-dione?
4-methyl-1-trimethylsilylpentane-1,3-dione has a molecular weight of 186.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-trimethylsilylpentane-1,3-dione is sourced from PubChem (CID 18710582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).