[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate

C23H44O3Si — CID 10739554

IUPAC[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate
SMILESCCCCCCCCCC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-17-22(24)26-21-16-14-15-20(21)18-19-25-27(5,6)23(2,3)4/h14-15,20-21H,7-13,16-19H2,1-6H3/t20-,21-/m1/s1
InChIKeyGGERXCSARGOUQG-NHCUHLMSSA-N
MW396.69 g/mol
LogP7.03
Rot. Bonds13

About [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate

[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate (PubChem CID 10739554) has the molecular formula C23H44O3Si and a molecular weight of 396.69 g/mol. Its IUPAC name is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate.

Molecular Properties

Compound Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate
PubChem CID10739554
Molecular FormulaC23H44O3Si
Molecular Weight396.69 g/mol
Exact Mass396.31
IUPAC Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate
SMILESCCCCCCCCCC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-17-22(24)26-21-16-14-15-20(21)18-19-25-27(5,6)23(2,3)4/h14-15,20-21H,7-13,16-19H2,1-6H3/t20-,21-/m1/s1
InChIKeyGGERXCSARGOUQG-NHCUHLMSSA-N
XLogP7.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate?
The IUPAC name of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate (CID 10739554) is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate.
What is the SMILES notation for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate?
The canonical SMILES for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate is CCCCCCCCCC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate?
The InChIKey is GGERXCSARGOUQG-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-17-22(24)26-21-16-14-15-20(21)18-19-25-27(5,6)23(2,3)4/h14-15,20-21H,7-13,16-19H2,1-6H3/t20-,21-/m1/s1.
What are the key properties of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate?
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate has a molecular weight of 396.69 g/mol, XLogP of 7.03, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] decanoate is sourced from PubChem (CID 10739554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).