butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane

C13H26OSi — CID 154233203

IUPACbutyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OCC[C@H]1C=CCC1
InChIInChI=1S/C13H26OSi/c1-4-5-12-15(2,3)14-11-10-13-8-6-7-9-13/h6,8,13H,4-5,7,9-12H2,1-3H3/t13-/m0/s1
InChIKeyWKJPQZKICMKWCK-ZDUSSCGKSA-N
MW226.44 g/mol
LogP4.36
Rot. Bonds7

About butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane

butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane (PubChem CID 154233203) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane
PubChem CID154233203
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namebutyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OCC[C@H]1C=CCC1
InChIInChI=1S/C13H26OSi/c1-4-5-12-15(2,3)14-11-10-13-8-6-7-9-13/h6,8,13H,4-5,7,9-12H2,1-3H3/t13-/m0/s1
InChIKeyWKJPQZKICMKWCK-ZDUSSCGKSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane (CID 154233203) is butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane is CCCC[Si](C)(C)OCC[C@H]1C=CCC1.
What is the InChIKey of butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
The InChIKey is WKJPQZKICMKWCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26OSi/c1-4-5-12-15(2,3)14-11-10-13-8-6-7-9-13/h6,8,13H,4-5,7,9-12H2,1-3H3/t13-/m0/s1.
What are the key properties of butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[(1S)-cyclopent-2-en-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 154233203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).