4-methyl-1-trimethylsilylpent-1-yn-3-one

C9H16OSi — CID 11116455

IUPAC4-methyl-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-8(2)9(10)6-7-11(3,4)5/h8H,1-5H3
InChIKeyZOIMAQVXVPSGES-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.09
Rot. Bonds1

About 4-methyl-1-trimethylsilylpent-1-yn-3-one

4-methyl-1-trimethylsilylpent-1-yn-3-one (PubChem CID 11116455) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 4-methyl-1-trimethylsilylpent-1-yn-3-one.

Molecular Properties

Compound Name4-methyl-1-trimethylsilylpent-1-yn-3-one
PubChem CID11116455
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name4-methyl-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-8(2)9(10)6-7-11(3,4)5/h8H,1-5H3
InChIKeyZOIMAQVXVPSGES-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-trimethylsilylpent-1-yn-3-one?
The IUPAC name of 4-methyl-1-trimethylsilylpent-1-yn-3-one (CID 11116455) is 4-methyl-1-trimethylsilylpent-1-yn-3-one.
What is the SMILES notation for 4-methyl-1-trimethylsilylpent-1-yn-3-one?
The canonical SMILES for 4-methyl-1-trimethylsilylpent-1-yn-3-one is CC(C)C(=O)C#C[Si](C)(C)C.
What is the InChIKey of 4-methyl-1-trimethylsilylpent-1-yn-3-one?
The InChIKey is ZOIMAQVXVPSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-8(2)9(10)6-7-11(3,4)5/h8H,1-5H3.
What are the key properties of 4-methyl-1-trimethylsilylpent-1-yn-3-one?
4-methyl-1-trimethylsilylpent-1-yn-3-one has a molecular weight of 168.31 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-trimethylsilylpent-1-yn-3-one is sourced from PubChem (CID 11116455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).