4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]

C28H24O2Si — CID 171608826

IUPAC4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]
SMILESCC(C)(C)c1cccc2c1Oc1ccccc1[Si]21c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H24O2Si/c1-28(2,3)19-11-10-18-26-27(19)30-22-14-6-9-17-25(22)31(26)23-15-7-4-12-20(23)29-21-13-5-8-16-24(21)31/h4-18H,1-3H3
InChIKeyIFFIXSQPDHZNKJ-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.57
Rot. Bonds

About 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]

4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] (PubChem CID 171608826) has the molecular formula C28H24O2Si and a molecular weight of 420.58 g/mol. Its IUPAC name is 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline].

Molecular Properties

Compound Name4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]
PubChem CID171608826
Molecular FormulaC28H24O2Si
Molecular Weight420.58 g/mol
Exact Mass420.15
IUPAC Name4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]
SMILESCC(C)(C)c1cccc2c1Oc1ccccc1[Si]21c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H24O2Si/c1-28(2,3)19-11-10-18-26-27(19)30-22-14-6-9-17-25(22)31(26)23-15-7-4-12-20(23)29-21-13-5-8-16-24(21)31/h4-18H,1-3H3
InChIKeyIFFIXSQPDHZNKJ-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
The IUPAC name of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] (CID 171608826) is 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline].
What is the SMILES notation for 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
The canonical SMILES for 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] is CC(C)(C)c1cccc2c1Oc1ccccc1[Si]21c2ccccc2Oc2ccccc21.
What is the InChIKey of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
The InChIKey is IFFIXSQPDHZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2Si/c1-28(2,3)19-11-10-18-26-27(19)30-22-14-6-9-17-25(22)31(26)23-15-7-4-12-20(23)29-21-13-5-8-16-24(21)31/h4-18H,1-3H3.
What are the key properties of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] has a molecular weight of 420.58 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] is sourced from PubChem (CID 171608826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).