6-trimethylsilylhexa-3,5-diyn-2-one

C9H12OSi — CID 11275194

IUPAC6-trimethylsilylhexa-3,5-diyn-2-one
SMILESCC(=O)C#CC#C[Si](C)(C)C
InChIInChI=1S/C9H12OSi/c1-9(10)7-5-6-8-11(2,3)4/h1-4H3
InChIKeyTXRQBOYQWPFBEQ-UHFFFAOYSA-N
MW164.28 g/mol
LogP1.46
Rot. Bonds

About 6-trimethylsilylhexa-3,5-diyn-2-one

6-trimethylsilylhexa-3,5-diyn-2-one (PubChem CID 11275194) has the molecular formula C9H12OSi and a molecular weight of 164.28 g/mol. Its IUPAC name is 6-trimethylsilylhexa-3,5-diyn-2-one.

Molecular Properties

Compound Name6-trimethylsilylhexa-3,5-diyn-2-one
PubChem CID11275194
Molecular FormulaC9H12OSi
Molecular Weight164.28 g/mol
Exact Mass164.07
IUPAC Name6-trimethylsilylhexa-3,5-diyn-2-one
SMILESCC(=O)C#CC#C[Si](C)(C)C
InChIInChI=1S/C9H12OSi/c1-9(10)7-5-6-8-11(2,3)4/h1-4H3
InChIKeyTXRQBOYQWPFBEQ-UHFFFAOYSA-N
XLogP1.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

octa-3,5-diyne-2,7-dione
CID 45085430
5-trimethylsilylpenta-2,4-diynoic acid
CID 100996998
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
CID 15953221
hex-3-yne-2,5-dione
CID 11412356
3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
10-trimethylsilyldeca-5,7,9-triynoic acid
CID 154494507
trimethyl(penta-1,3-diynyl)silane
CID 10964580
4-bromobuta-1,3-diynyl(trimethyl)silane
CID 10932494
N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide
CID 135086683
aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride
CID 158786314
5-trimethylsilylpent-4-yn-2-one
CID 12685334

Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilylhexa-3,5-diyn-2-one?
The IUPAC name of 6-trimethylsilylhexa-3,5-diyn-2-one (CID 11275194) is 6-trimethylsilylhexa-3,5-diyn-2-one.
What is the SMILES notation for 6-trimethylsilylhexa-3,5-diyn-2-one?
The canonical SMILES for 6-trimethylsilylhexa-3,5-diyn-2-one is CC(=O)C#CC#C[Si](C)(C)C.
What is the InChIKey of 6-trimethylsilylhexa-3,5-diyn-2-one?
The InChIKey is TXRQBOYQWPFBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OSi/c1-9(10)7-5-6-8-11(2,3)4/h1-4H3.
What are the key properties of 6-trimethylsilylhexa-3,5-diyn-2-one?
6-trimethylsilylhexa-3,5-diyn-2-one has a molecular weight of 164.28 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilylhexa-3,5-diyn-2-one is sourced from PubChem (CID 11275194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).