7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid

C18H32O4Si — CID 19790443

IUPAC7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid
SMILESCC[Si](CC)(CC)OC1=C(CCCCCCC(=O)O)C(=O)CC1
InChIInChI=1S/C18H32O4Si/c1-4-23(5-2,6-3)22-17-14-13-16(19)15(17)11-9-7-8-10-12-18(20)21/h4-14H2,1-3H3,(H,20,21)
InChIKeyYSFXADFLGFVQQB-UHFFFAOYSA-N
MW340.54 g/mol
LogP5.05
Rot. Bonds12

About 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid

7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid (PubChem CID 19790443) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid
PubChem CID19790443
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid
SMILESCC[Si](CC)(CC)OC1=C(CCCCCCC(=O)O)C(=O)CC1
InChIInChI=1S/C18H32O4Si/c1-4-23(5-2,6-3)22-17-14-13-16(19)15(17)11-9-7-8-10-12-18(20)21/h4-14H2,1-3H3,(H,20,21)
InChIKeyYSFXADFLGFVQQB-UHFFFAOYSA-N
XLogP5.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid?
The IUPAC name of 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid (CID 19790443) is 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid.
What is the SMILES notation for 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid?
The canonical SMILES for 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid is CC[Si](CC)(CC)OC1=C(CCCCCCC(=O)O)C(=O)CC1.
What is the InChIKey of 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid?
The InChIKey is YSFXADFLGFVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-4-23(5-2,6-3)22-17-14-13-16(19)15(17)11-9-7-8-10-12-18(20)21/h4-14H2,1-3H3,(H,20,21).
What are the key properties of 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid?
7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid has a molecular weight of 340.54 g/mol, XLogP of 5.05, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoic acid is sourced from PubChem (CID 19790443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).