tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane

C21H26OSi — CID 12742150

IUPACtert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1C=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26OSi/c1-21(2,3)23(19-14-6-4-7-15-19,20-16-8-5-9-17-20)22-18-12-10-11-13-18/h4-10,12,14-18H,11,13H2,1-3H3
InChIKeyXNQMKNPWEQSDCH-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane

tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane (PubChem CID 12742150) has the molecular formula C21H26OSi and a molecular weight of 322.52 g/mol. Its IUPAC name is tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane
PubChem CID12742150
Molecular FormulaC21H26OSi
Molecular Weight322.52 g/mol
Exact Mass322.18
IUPAC Nametert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1C=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26OSi/c1-21(2,3)23(19-14-6-4-7-15-19,20-16-8-5-9-17-20)22-18-12-10-11-13-18/h4-10,12,14-18H,11,13H2,1-3H3
InChIKeyXNQMKNPWEQSDCH-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.28
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 tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane?
The IUPAC name of tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane (CID 12742150) is tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane.
What is the SMILES notation for tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane?
The canonical SMILES for tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane is CC(C)(C)[Si](OC1C=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane?
The InChIKey is XNQMKNPWEQSDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26OSi/c1-21(2,3)23(19-14-6-4-7-15-19,20-16-8-5-9-17-20)22-18-12-10-11-13-18/h4-10,12,14-18H,11,13H2,1-3H3.
What are the key properties of tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane?
tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane has a molecular weight of 322.52 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclopent-2-en-1-yloxy-diphenylsilane is sourced from PubChem (CID 12742150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).