5-trimethylsilylpenta-2,4-diynoic acid

C8H10O2Si — CID 100996998

IUPAC5-trimethylsilylpenta-2,4-diynoic acid
SMILESC[Si](C)(C)C#CC#CC(=O)O
InChIInChI=1S/C8H10O2Si/c1-11(2,3)7-5-4-6-8(9)10/h1-3H3,(H,9,10)
InChIKeyNQJBYEIFUVGHQZ-UHFFFAOYSA-N
MW166.25 g/mol
LogP0.96
Rot. Bonds

About 5-trimethylsilylpenta-2,4-diynoic acid

5-trimethylsilylpenta-2,4-diynoic acid (PubChem CID 100996998) has the molecular formula C8H10O2Si and a molecular weight of 166.25 g/mol. Its IUPAC name is 5-trimethylsilylpenta-2,4-diynoic acid.

Molecular Properties

Compound Name5-trimethylsilylpenta-2,4-diynoic acid
PubChem CID100996998
Molecular FormulaC8H10O2Si
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name5-trimethylsilylpenta-2,4-diynoic acid
SMILESC[Si](C)(C)C#CC#CC(=O)O
InChIInChI=1S/C8H10O2Si/c1-11(2,3)7-5-4-6-8(9)10/h1-3H3,(H,9,10)
InChIKeyNQJBYEIFUVGHQZ-UHFFFAOYSA-N
XLogP0.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
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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Related Compounds

3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
6-trimethylsilylhexa-3,5-diyn-2-one
CID 11275194
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
CID 15953221
13-sulfanyltrideca-2,4,6,8,10,12-hexaynoic acid
CID 155655332
10-trimethylsilyldeca-5,7,9-triynoic acid
CID 154494507
trimethyl(penta-1,3-diynyl)silane
CID 10964580
4-(4-trimethylsilylbuta-1,3-diynyl)benzoic acid
CID 141099093
4-bromobuta-1,3-diynyl(trimethyl)silane
CID 10932494
3-methylidene-5-trimethylsilylpent-4-ynoic acid
CID 11074045
4-oxo-6-trimethylsilylhex-5-ynoic acid
CID 10774345
aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride
CID 158786314

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilylpenta-2,4-diynoic acid?
The IUPAC name of 5-trimethylsilylpenta-2,4-diynoic acid (CID 100996998) is 5-trimethylsilylpenta-2,4-diynoic acid.
What is the SMILES notation for 5-trimethylsilylpenta-2,4-diynoic acid?
The canonical SMILES for 5-trimethylsilylpenta-2,4-diynoic acid is C[Si](C)(C)C#CC#CC(=O)O.
What is the InChIKey of 5-trimethylsilylpenta-2,4-diynoic acid?
The InChIKey is NQJBYEIFUVGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2Si/c1-11(2,3)7-5-4-6-8(9)10/h1-3H3,(H,9,10).
What are the key properties of 5-trimethylsilylpenta-2,4-diynoic acid?
5-trimethylsilylpenta-2,4-diynoic acid has a molecular weight of 166.25 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilylpenta-2,4-diynoic acid is sourced from PubChem (CID 100996998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).