4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene

C23H28O2Si — CID 123233811

IUPAC4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene
SMILESCC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=[O+][SiH-]O2)cc1
InChIInChI=1S/C23H28O2Si/c1-22(2,3)18-11-7-16(8-12-18)20-15-21(25-26-24-20)17-9-13-19(14-10-17)23(4,5)6/h7-15,26H,1-6H3
InChIKeySMJXSIQGZBLRIT-UHFFFAOYSA-N
MW364.56 g/mol
LogP5.34
Rot. Bonds2

About 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene

4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene (PubChem CID 123233811) has the molecular formula C23H28O2Si and a molecular weight of 364.56 g/mol. Its IUPAC name is 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene.

Molecular Properties

Compound Name4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene
PubChem CID123233811
Molecular FormulaC23H28O2Si
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Name4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene
SMILESCC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=[O+][SiH-]O2)cc1
InChIInChI=1S/C23H28O2Si/c1-22(2,3)18-11-7-16(8-12-18)20-15-21(25-26-24-20)17-9-13-19(14-10-17)23(4,5)6/h7-15,26H,1-6H3
InChIKeySMJXSIQGZBLRIT-UHFFFAOYSA-N
XLogP5.34
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene?
The IUPAC name of 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene (CID 123233811) is 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene.
What is the SMILES notation for 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene?
The canonical SMILES for 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene is CC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=[O+][SiH-]O2)cc1.
What is the InChIKey of 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene?
The InChIKey is SMJXSIQGZBLRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2Si/c1-22(2,3)18-11-7-16(8-12-18)20-15-21(25-26-24-20)17-9-13-19(14-10-17)23(4,5)6/h7-15,26H,1-6H3.
What are the key properties of 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene?
4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene has a molecular weight of 364.56 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene is sourced from PubChem (CID 123233811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).