1-trimethylsilylnona-1,5-diyn-3-one

C12H18OSi — CID 89046646

IUPAC1-trimethylsilylnona-1,5-diyn-3-one
SMILESCCCC#CCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C12H18OSi/c1-5-6-7-8-9-12(13)10-11-14(2,3)4/h5-6,9H2,1-4H3
InChIKeyBKQZAQYKJJLNFI-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.63
Rot. Bonds2

About 1-trimethylsilylnona-1,5-diyn-3-one

1-trimethylsilylnona-1,5-diyn-3-one (PubChem CID 89046646) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 1-trimethylsilylnona-1,5-diyn-3-one.

Molecular Properties

Compound Name1-trimethylsilylnona-1,5-diyn-3-one
PubChem CID89046646
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name1-trimethylsilylnona-1,5-diyn-3-one
SMILESCCCC#CCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C12H18OSi/c1-5-6-7-8-9-12(13)10-11-14(2,3)4/h5-6,9H2,1-4H3
InChIKeyBKQZAQYKJJLNFI-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.63
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 1-trimethylsilylnona-1,5-diyn-3-one?
The IUPAC name of 1-trimethylsilylnona-1,5-diyn-3-one (CID 89046646) is 1-trimethylsilylnona-1,5-diyn-3-one.
What is the SMILES notation for 1-trimethylsilylnona-1,5-diyn-3-one?
The canonical SMILES for 1-trimethylsilylnona-1,5-diyn-3-one is CCCC#CCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylnona-1,5-diyn-3-one?
The InChIKey is BKQZAQYKJJLNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-5-6-7-8-9-12(13)10-11-14(2,3)4/h5-6,9H2,1-4H3.
What are the key properties of 1-trimethylsilylnona-1,5-diyn-3-one?
1-trimethylsilylnona-1,5-diyn-3-one has a molecular weight of 206.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylnona-1,5-diyn-3-one is sourced from PubChem (CID 89046646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).