1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one

C15H28OSi — CID 166524023

IUPAC1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one
SMILESCCCCCCC#CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-7-8-9-10-11-12-13-14(16)17(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyXZDXDQHBFKYCEQ-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.58
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one

1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one (PubChem CID 166524023) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one
PubChem CID166524023
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one
SMILESCCCCCCC#CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-7-8-9-10-11-12-13-14(16)17(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyXZDXDQHBFKYCEQ-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one (CID 166524023) is 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one is CCCCCCC#CC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one?
The InChIKey is XZDXDQHBFKYCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-8-9-10-11-12-13-14(16)17(5,6)15(2,3)4/h7-11H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one?
1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one has a molecular weight of 252.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]non-2-yn-1-one is sourced from PubChem (CID 166524023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).