2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran

C15H28O — CID 59616846

IUPAC2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran
SMILESCC(C)C1=C(C(C)(C)C)COC1C(C)(C)C
InChIInChI=1S/C15H28O/c1-10(2)12-11(14(3,4)5)9-16-13(12)15(6,7)8/h10,13H,9H2,1-8H3
InChIKeyNSEZBDFOPRCZDP-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.43
Rot. Bonds1

About 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran

2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran (PubChem CID 59616846) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran
PubChem CID59616846
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran
SMILESCC(C)C1=C(C(C)(C)C)COC1C(C)(C)C
InChIInChI=1S/C15H28O/c1-10(2)12-11(14(3,4)5)9-16-13(12)15(6,7)8/h10,13H,9H2,1-8H3
InChIKeyNSEZBDFOPRCZDP-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran (CID 59616846) is 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran is CC(C)C1=C(C(C)(C)C)COC1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran?
The InChIKey is NSEZBDFOPRCZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-10(2)12-11(14(3,4)5)9-16-13(12)15(6,7)8/h10,13H,9H2,1-8H3.
What are the key properties of 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran?
2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran has a molecular weight of 224.39 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-3-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 59616846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).