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

C20H24O3Si — CID 123736412

IUPAC4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
SMILESCOc1ccc(C2C=C(c3ccc(C(C)(C)C)cc3)O[SiH-][OH+]2)cc1
InChIInChI=1S/C20H24O3Si/c1-20(2,3)16-9-5-14(6-10-16)18-13-19(23-24-22-18)15-7-11-17(21-4)12-8-15/h5-13,19,23-24H,1-4H3
InChIKeyDWESZIPQPNLXRF-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.90
Rot. Bonds3

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

4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene (PubChem CID 123736412) has the molecular formula C20H24O3Si and a molecular weight of 340.50 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
PubChem CID123736412
Molecular FormulaC20H24O3Si
Molecular Weight340.50 g/mol
Exact Mass340.15
IUPAC Name4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
SMILESCOc1ccc(C2C=C(c3ccc(C(C)(C)C)cc3)O[SiH-][OH+]2)cc1
InChIInChI=1S/C20H24O3Si/c1-20(2,3)16-9-5-14(6-10-16)18-13-19(23-24-22-18)15-7-11-17(21-4)12-8-15/h5-13,19,23-24H,1-4H3
InChIKeyDWESZIPQPNLXRF-UHFFFAOYSA-N
XLogP3.90
TPSA31.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The IUPAC name of 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene (CID 123736412) is 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene is COc1ccc(C2C=C(c3ccc(C(C)(C)C)cc3)O[SiH-][OH+]2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
The InChIKey is DWESZIPQPNLXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3Si/c1-20(2,3)16-9-5-14(6-10-16)18-13-19(23-24-22-18)15-7-11-17(21-4)12-8-15/h5-13,19,23-24H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene?
4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene has a molecular weight of 340.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-3-oxa-1-oxonia-2-silanidacyclohex-4-ene is sourced from PubChem (CID 123736412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).