4-oxo-6-trimethylsilylhex-5-ynoic acid

C9H14O3Si — CID 10774345

IUPAC4-oxo-6-trimethylsilylhex-5-ynoic acid
SMILESC[Si](C)(C)C#CC(=O)CCC(=O)O
InChIInChI=1S/C9H14O3Si/c1-13(2,3)7-6-8(10)4-5-9(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyMYDKOOSBGMKPCE-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.30
Rot. Bonds3

About 4-oxo-6-trimethylsilylhex-5-ynoic acid

4-oxo-6-trimethylsilylhex-5-ynoic acid (PubChem CID 10774345) has the molecular formula C9H14O3Si and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-oxo-6-trimethylsilylhex-5-ynoic acid.

Molecular Properties

Compound Name4-oxo-6-trimethylsilylhex-5-ynoic acid
PubChem CID10774345
Molecular FormulaC9H14O3Si
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name4-oxo-6-trimethylsilylhex-5-ynoic acid
SMILESC[Si](C)(C)C#CC(=O)CCC(=O)O
InChIInChI=1S/C9H14O3Si/c1-13(2,3)7-6-8(10)4-5-9(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyMYDKOOSBGMKPCE-UHFFFAOYSA-N
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
3-methylidene-5-trimethylsilylpent-4-ynoic acid
CID 11074045
10-trimethylsilyldeca-5,7,9-triynoic acid
CID 154494507
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
5-oxooct-6-ynoic acid
CID 91086168
methyl 2-[benzyl-(4-oxo-6-trimethylsilylhex-5-ynoyl)amino]propanoate
CID 10499615
butanedioic acid;2-methyloxirane
CID 87390185

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-trimethylsilylhex-5-ynoic acid?
The IUPAC name of 4-oxo-6-trimethylsilylhex-5-ynoic acid (CID 10774345) is 4-oxo-6-trimethylsilylhex-5-ynoic acid.
What is the SMILES notation for 4-oxo-6-trimethylsilylhex-5-ynoic acid?
The canonical SMILES for 4-oxo-6-trimethylsilylhex-5-ynoic acid is C[Si](C)(C)C#CC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-6-trimethylsilylhex-5-ynoic acid?
The InChIKey is MYDKOOSBGMKPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3Si/c1-13(2,3)7-6-8(10)4-5-9(11)12/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-oxo-6-trimethylsilylhex-5-ynoic acid?
4-oxo-6-trimethylsilylhex-5-ynoic acid has a molecular weight of 198.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-trimethylsilylhex-5-ynoic acid is sourced from PubChem (CID 10774345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).