5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one

C10H16OSi — CID 11063021

IUPAC5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one
SMILESCC(C)=CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-9(2)8-10(11)6-7-12(3,4)5/h8H,1-5H3
InChIKeyOFOUWCQRTUYAAT-UHFFFAOYSA-N
MW180.32 g/mol
LogP2.40
Rot. Bonds1

About 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one

5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one (PubChem CID 11063021) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one.

Molecular Properties

Compound Name5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one
PubChem CID11063021
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one
SMILESCC(C)=CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-9(2)8-10(11)6-7-12(3,4)5/h8H,1-5H3
InChIKeyOFOUWCQRTUYAAT-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one?
The IUPAC name of 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one (CID 11063021) is 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one.
What is the SMILES notation for 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one?
The canonical SMILES for 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one is CC(C)=CC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one?
The InChIKey is OFOUWCQRTUYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi/c1-9(2)8-10(11)6-7-12(3,4)5/h8H,1-5H3.
What are the key properties of 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one?
5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one has a molecular weight of 180.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-trimethylsilylhex-4-en-1-yn-3-one is sourced from PubChem (CID 11063021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).