3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid

C14H26O3Si — CID 53243771

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(CCC(=O)O)C1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-12-8-6-11(10-12)7-9-13(15)16/h6,12H,7-10H2,1-5H3,(H,15,16)
InChIKeyUWJLKVNWBNZFKQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.96
Rot. Bonds5

About 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid

3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid (PubChem CID 53243771) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid
PubChem CID53243771
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(CCC(=O)O)C1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-12-8-6-11(10-12)7-9-13(15)16/h6,12H,7-10H2,1-5H3,(H,15,16)
InChIKeyUWJLKVNWBNZFKQ-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid (CID 53243771) is 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid is CC(C)(C)[Si](C)(C)OC1CC=C(CCC(=O)O)C1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid?
The InChIKey is UWJLKVNWBNZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-12-8-6-11(10-12)7-9-13(15)16/h6,12H,7-10H2,1-5H3,(H,15,16).
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid?
3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid has a molecular weight of 270.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoic acid is sourced from PubChem (CID 53243771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).