2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid

C15H26O4Si — CID 67429440

IUPAC2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid
SMILESCC[C@@H]1CC(=O)C(CC(=O)O)=C1O[Si](CC)(CC)CC
InChIInChI=1S/C15H26O4Si/c1-5-11-9-13(16)12(10-14(17)18)15(11)19-20(6-2,7-3)8-4/h11H,5-10H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyQNCQCADMIRYAQZ-LLVKDONJSA-N
MW298.45 g/mol
LogP3.74
Rot. Bonds8

About 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid

2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid (PubChem CID 67429440) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid
PubChem CID67429440
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid
SMILESCC[C@@H]1CC(=O)C(CC(=O)O)=C1O[Si](CC)(CC)CC
InChIInChI=1S/C15H26O4Si/c1-5-11-9-13(16)12(10-14(17)18)15(11)19-20(6-2,7-3)8-4/h11H,5-10H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyQNCQCADMIRYAQZ-LLVKDONJSA-N
XLogP3.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid (CID 67429440) is 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid is CC[C@@H]1CC(=O)C(CC(=O)O)=C1O[Si](CC)(CC)CC.
What is the InChIKey of 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid?
The InChIKey is QNCQCADMIRYAQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-5-11-9-13(16)12(10-14(17)18)15(11)19-20(6-2,7-3)8-4/h11H,5-10H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid?
2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid has a molecular weight of 298.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethyl-5-oxo-2-triethylsilyloxycyclopenten-1-yl]acetic acid is sourced from PubChem (CID 67429440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).