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

C17H32O3Si — CID 10615048

IUPAC[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate
SMILESCCCC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-7-9-16(18)20-15-11-8-10-14(15)12-13-19-21(5,6)17(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/t14-,15-/m1/s1
InChIKeyHCHREAYVFLYHNH-HUUCEWRRSA-N
MW312.53 g/mol
LogP4.69
Rot. Bonds7

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

[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate (PubChem CID 10615048) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate.

Molecular Properties

Compound Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate
PubChem CID10615048
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate
SMILESCCCC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-7-9-16(18)20-15-11-8-10-14(15)12-13-19-21(5,6)17(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/t14-,15-/m1/s1
InChIKeyHCHREAYVFLYHNH-HUUCEWRRSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate?
The IUPAC name of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate (CID 10615048) is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate.
What is the SMILES notation for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate?
The canonical SMILES for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate is CCCC(=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] butanoate?
The InChIKey is HCHREAYVFLYHNH-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-9-16(18)20-15-11-8-10-14(15)12-13-19-21(5,6)17(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate?
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate has a molecular weight of 312.53 g/mol, XLogP of 4.69, 7 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] butanoate is sourced from PubChem (CID 10615048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).