4,4-dimethyl-1-trimethylsilylpentane-1,3-dione

C10H20O2Si — CID 15515064

IUPAC4,4-dimethyl-1-trimethylsilylpentane-1,3-dione
SMILESCC(C)(C)C(=O)CC(=O)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-10(2,3)8(11)7-9(12)13(4,5)6/h7H2,1-6H3
InChIKeyXRIZYGXJDWDRKF-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.44
Rot. Bonds3

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

4,4-dimethyl-1-trimethylsilylpentane-1,3-dione (PubChem CID 15515064) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-trimethylsilylpentane-1,3-dione
PubChem CID15515064
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4,4-dimethyl-1-trimethylsilylpentane-1,3-dione
SMILESCC(C)(C)C(=O)CC(=O)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-10(2,3)8(11)7-9(12)13(4,5)6/h7H2,1-6H3
InChIKeyXRIZYGXJDWDRKF-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.44
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 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione?
The IUPAC name of 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione (CID 15515064) is 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione.
What is the SMILES notation for 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione?
The canonical SMILES for 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione is CC(C)(C)C(=O)CC(=O)[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione?
The InChIKey is XRIZYGXJDWDRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-10(2,3)8(11)7-9(12)13(4,5)6/h7H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione?
4,4-dimethyl-1-trimethylsilylpentane-1,3-dione has a molecular weight of 200.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-trimethylsilylpentane-1,3-dione is sourced from PubChem (CID 15515064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).