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

C13H22O4Si — CID 66917185

IUPAC2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid
SMILESCC[Si](CC)(CC)O[C@H]1C=C(CC(=O)O)C(=O)C1
InChIInChI=1S/C13H22O4Si/c1-4-18(5-2,6-3)17-11-7-10(8-13(15)16)12(14)9-11/h7,11H,4-6,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyFDNNUPCSTVUJGI-NSHDSACASA-N
MW270.40 g/mol
LogP2.75
Rot. Bonds7

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

2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid (PubChem CID 66917185) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid
PubChem CID66917185
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Name2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid
SMILESCC[Si](CC)(CC)O[C@H]1C=C(CC(=O)O)C(=O)C1
InChIInChI=1S/C13H22O4Si/c1-4-18(5-2,6-3)17-11-7-10(8-13(15)16)12(14)9-11/h7,11H,4-6,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyFDNNUPCSTVUJGI-NSHDSACASA-N
XLogP2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.75
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)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid (CID 66917185) is 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid is CC[Si](CC)(CC)O[C@H]1C=C(CC(=O)O)C(=O)C1.
What is the InChIKey of 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid?
The InChIKey is FDNNUPCSTVUJGI-NSHDSACASA-N. The full InChI is InChI=1S/C13H22O4Si/c1-4-18(5-2,6-3)17-11-7-10(8-13(15)16)12(14)9-11/h7,11H,4-6,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid?
2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid has a molecular weight of 270.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]acetic acid is sourced from PubChem (CID 66917185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).