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

C20H24O2Si — CID 123990238

IUPAC4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
SMILESCc1ccc(C2C=C(c3ccc(C(C)(C)C)cc3)O[SiH-][OH+]2)cc1
InChIInChI=1S/C20H24O2Si/c1-14-5-7-15(8-6-14)18-13-19(22-23-21-18)16-9-11-17(12-10-16)20(2,3)4/h5-13,18,21,23H,1-4H3
InChIKeyYXXZGWDDCBYXLW-UHFFFAOYSA-N
MW324.50 g/mol
LogP4.20
Rot. Bonds2

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

4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene (PubChem CID 123990238) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
PubChem CID123990238
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
SMILESCc1ccc(C2C=C(c3ccc(C(C)(C)C)cc3)O[SiH-][OH+]2)cc1
InChIInChI=1S/C20H24O2Si/c1-14-5-7-15(8-6-14)18-13-19(22-23-21-18)16-9-11-17(12-10-16)20(2,3)4/h5-13,18,21,23H,1-4H3
InChIKeyYXXZGWDDCBYXLW-UHFFFAOYSA-N
XLogP4.20
TPSA22.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 54.20
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'}

Analyze 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
CID 123676638
4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
CID 123736412
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
CID 123709825
1-tert-butyl-4-methylbenzene
CID 163486601
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium
CID 162205446
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
4,6-bis(4-tert-butylphenyl)-3-oxa-1-oxonia-2-silanidacyclohexa-4,6-diene
CID 123233811
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The IUPAC name of 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene (CID 123990238) is 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene is Cc1ccc(C2C=C(c3ccc(C(C)(C)C)cc3)O[SiH-][OH+]2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The InChIKey is YXXZGWDDCBYXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-14-5-7-15(8-6-14)18-13-19(22-23-21-18)16-9-11-17(12-10-16)20(2,3)4/h5-13,18,21,23H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
4-(4-tert-butylphenyl)-6-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene has a molecular weight of 324.50 g/mol, XLogP of 4.20, 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-(4-methylphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene is sourced from PubChem (CID 123990238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).