4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene

C19H22O2Si — CID 123676638

IUPAC4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
SMILESCC(C)(C)c1ccc(C2=CC(c3ccccc3)[OH+][SiH-]O2)cc1
InChIInChI=1S/C19H22O2Si/c1-19(2,3)16-11-9-15(10-12-16)18-13-17(20-22-21-18)14-7-5-4-6-8-14/h4-13,17,20,22H,1-3H3
InChIKeyUWNXWCLKJYVJHN-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.89
Rot. Bonds2

About 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene

4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene (PubChem CID 123676638) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
PubChem CID123676638
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Name4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
SMILESCC(C)(C)c1ccc(C2=CC(c3ccccc3)[OH+][SiH-]O2)cc1
InChIInChI=1S/C19H22O2Si/c1-19(2,3)16-11-9-15(10-12-16)18-13-17(20-22-21-18)14-7-5-4-6-8-14/h4-13,17,20,22H,1-3H3
InChIKeyUWNXWCLKJYVJHN-UHFFFAOYSA-N
XLogP3.89
TPSA22.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.89
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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Related Compounds

4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
CID 123990238
4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
CID 123736412
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101150502
3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole
CID 102414963
(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
CID 102401506
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
CID 171375456
CID 171375456
4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene
CID 123233811
bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium
CID 159038581
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The IUPAC name of 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene (CID 123676638) is 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene is CC(C)(C)c1ccc(C2=CC(c3ccccc3)[OH+][SiH-]O2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The InChIKey is UWNXWCLKJYVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-19(2,3)16-11-9-15(10-12-16)18-13-17(20-22-21-18)14-7-5-4-6-8-14/h4-13,17,20,22H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene has a molecular weight of 310.47 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene is sourced from PubChem (CID 123676638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).