3-trimethylsilyl(113C)prop-2-ynoic acid

C6H10O2Si — CID 101015647

IUPAC3-trimethylsilyl(113C)prop-2-ynoic acid
SMILESC[Si](C)(C)C#C[13C](=O)O
InChIInChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)/i6+1
InChIKeyIPEATTYBFBRNEB-PTQBSOBMSA-N
MW143.22 g/mol
LogP0.95
Rot. Bonds

About 3-trimethylsilyl(113C)prop-2-ynoic acid

3-trimethylsilyl(113C)prop-2-ynoic acid (PubChem CID 101015647) has the molecular formula C6H10O2Si and a molecular weight of 143.22 g/mol. Its IUPAC name is 3-trimethylsilyl(113C)prop-2-ynoic acid.

Molecular Properties

Compound Name3-trimethylsilyl(113C)prop-2-ynoic acid
PubChem CID101015647
Molecular FormulaC6H10O2Si
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name3-trimethylsilyl(113C)prop-2-ynoic acid
SMILESC[Si](C)(C)C#C[13C](=O)O
InChIInChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)/i6+1
InChIKeyIPEATTYBFBRNEB-PTQBSOBMSA-N
XLogP0.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.95
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
5-trimethylsilylpenta-2,4-diynoic acid
CID 100996998
3-methylidene-5-trimethylsilylpent-4-ynoic acid
CID 11074045
4-oxo-6-trimethylsilylhex-5-ynoic acid
CID 10774345
4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one
CID 12529654
1-trimethylsilylhexa-1,4-diyn-3-one
CID 86229004
6,6-dimethyl-1-trimethylsilylhepta-1,4-diyn-3-one
CID 140863657
N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide
CID 135086683
aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride
CID 158786314
potassium but-2-ynedioic acid
CID 18763942
6-trimethylsilylhexa-3,5-diyn-2-one
CID 11275194
4-trimethylsilylbut-2-ynoic acid
CID 11105603

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyl(113C)prop-2-ynoic acid?
The IUPAC name of 3-trimethylsilyl(113C)prop-2-ynoic acid (CID 101015647) is 3-trimethylsilyl(113C)prop-2-ynoic acid.
What is the SMILES notation for 3-trimethylsilyl(113C)prop-2-ynoic acid?
The canonical SMILES for 3-trimethylsilyl(113C)prop-2-ynoic acid is C[Si](C)(C)C#C[13C](=O)O.
What is the InChIKey of 3-trimethylsilyl(113C)prop-2-ynoic acid?
The InChIKey is IPEATTYBFBRNEB-PTQBSOBMSA-N. The full InChI is InChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)/i6+1.
What are the key properties of 3-trimethylsilyl(113C)prop-2-ynoic acid?
3-trimethylsilyl(113C)prop-2-ynoic acid has a molecular weight of 143.22 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyl(113C)prop-2-ynoic acid is sourced from PubChem (CID 101015647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).