7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid

C18H32O4Si — CID 20513648

IUPAC7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1CCCCCCC(=O)O
InChIInChI=1S/C18H32O4Si/c1-18(2,3)23(4,5)22-16-13-15(19)12-14(16)10-8-6-7-9-11-17(20)21/h12,16H,6-11,13H2,1-5H3,(H,20,21)
InChIKeyGDOZWEPAPUOIQA-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.70
Rot. Bonds9

About 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid

7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid (PubChem CID 20513648) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid
PubChem CID20513648
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1CCCCCCC(=O)O
InChIInChI=1S/C18H32O4Si/c1-18(2,3)23(4,5)22-16-13-15(19)12-14(16)10-8-6-7-9-11-17(20)21/h12,16H,6-11,13H2,1-5H3,(H,20,21)
InChIKeyGDOZWEPAPUOIQA-UHFFFAOYSA-N
XLogP4.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.70
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'}

Analyze 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid?
The IUPAC name of 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid (CID 20513648) is 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid.
What is the SMILES notation for 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid?
The canonical SMILES for 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid is CC(C)(C)[Si](C)(C)OC1CC(=O)C=C1CCCCCCC(=O)O.
What is the InChIKey of 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid?
The InChIKey is GDOZWEPAPUOIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-18(2,3)23(4,5)22-16-13-15(19)12-14(16)10-8-6-7-9-11-17(20)21/h12,16H,6-11,13H2,1-5H3,(H,20,21).
What are the key properties of 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid?
7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid has a molecular weight of 340.54 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid is sourced from PubChem (CID 20513648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).