2,8-ditert-butyldibenzofuran

C20H24O — CID 14914466

IUPAC2,8-ditert-butyldibenzofuran
SMILESCC(C)(C)c1ccc2oc3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C20H24O/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12H,1-6H3
InChIKeySJGXOBRPLZLBFY-UHFFFAOYSA-N
MW280.41 g/mol
LogP6.18
Rot. Bonds

About 2,8-ditert-butyldibenzofuran

2,8-ditert-butyldibenzofuran (PubChem CID 14914466) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,8-ditert-butyldibenzofuran.

Molecular Properties

Compound Name2,8-ditert-butyldibenzofuran
PubChem CID14914466
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2,8-ditert-butyldibenzofuran
SMILESCC(C)(C)c1ccc2oc3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C20H24O/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12H,1-6H3
InChIKeySJGXOBRPLZLBFY-UHFFFAOYSA-N
XLogP6.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyldibenzofuran?
The IUPAC name of 2,8-ditert-butyldibenzofuran (CID 14914466) is 2,8-ditert-butyldibenzofuran.
What is the SMILES notation for 2,8-ditert-butyldibenzofuran?
The canonical SMILES for 2,8-ditert-butyldibenzofuran is CC(C)(C)c1ccc2oc3ccc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 2,8-ditert-butyldibenzofuran?
The InChIKey is SJGXOBRPLZLBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12H,1-6H3.
What are the key properties of 2,8-ditert-butyldibenzofuran?
2,8-ditert-butyldibenzofuran has a molecular weight of 280.41 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyldibenzofuran is sourced from PubChem (CID 14914466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).