4,5-ditert-butyl-2-propyl-2,3-dihydrofuran

C15H28O — CID 20773255

IUPAC4,5-ditert-butyl-2-propyl-2,3-dihydrofuran
SMILESCCCC1CC(C(C)(C)C)=C(C(C)(C)C)O1
InChIInChI=1S/C15H28O/c1-8-9-11-10-12(14(2,3)4)13(16-11)15(5,6)7/h11H,8-10H2,1-7H3
InChIKeyUIFCSGHLSFBLNJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.92
Rot. Bonds2

About 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran

4,5-ditert-butyl-2-propyl-2,3-dihydrofuran (PubChem CID 20773255) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4,5-ditert-butyl-2-propyl-2,3-dihydrofuran
PubChem CID20773255
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name4,5-ditert-butyl-2-propyl-2,3-dihydrofuran
SMILESCCCC1CC(C(C)(C)C)=C(C(C)(C)C)O1
InChIInChI=1S/C15H28O/c1-8-9-11-10-12(14(2,3)4)13(16-11)15(5,6)7/h11H,8-10H2,1-7H3
InChIKeyUIFCSGHLSFBLNJ-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran?
The IUPAC name of 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran (CID 20773255) is 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran.
What is the SMILES notation for 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran?
The canonical SMILES for 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran is CCCC1CC(C(C)(C)C)=C(C(C)(C)C)O1.
What is the InChIKey of 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran?
The InChIKey is UIFCSGHLSFBLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-8-9-11-10-12(14(2,3)4)13(16-11)15(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran?
4,5-ditert-butyl-2-propyl-2,3-dihydrofuran has a molecular weight of 224.39 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-propyl-2,3-dihydrofuran is sourced from PubChem (CID 20773255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).