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

C13H24O — CID 23592138

IUPAC4,5-ditert-butyl-2-methyl-2,3-dihydrofuran
SMILESCC1CC(C(C)(C)C)=C(C(C)(C)C)O1
InChIInChI=1S/C13H24O/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h9H,8H2,1-7H3
InChIKeyQBKVVLWCKRWEOZ-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds

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

4,5-ditert-butyl-2-methyl-2,3-dihydrofuran (PubChem CID 23592138) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4,5-ditert-butyl-2-methyl-2,3-dihydrofuran
PubChem CID23592138
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4,5-ditert-butyl-2-methyl-2,3-dihydrofuran
SMILESCC1CC(C(C)(C)C)=C(C(C)(C)C)O1
InChIInChI=1S/C13H24O/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h9H,8H2,1-7H3
InChIKeyQBKVVLWCKRWEOZ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
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-methyl-2,3-dihydrofuran?
The IUPAC name of 4,5-ditert-butyl-2-methyl-2,3-dihydrofuran (CID 23592138) is 4,5-ditert-butyl-2-methyl-2,3-dihydrofuran.
What is the SMILES notation for 4,5-ditert-butyl-2-methyl-2,3-dihydrofuran?
The canonical SMILES for 4,5-ditert-butyl-2-methyl-2,3-dihydrofuran is CC1CC(C(C)(C)C)=C(C(C)(C)C)O1.
What is the InChIKey of 4,5-ditert-butyl-2-methyl-2,3-dihydrofuran?
The InChIKey is QBKVVLWCKRWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h9H,8H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-methyl-2,3-dihydrofuran?
4,5-ditert-butyl-2-methyl-2,3-dihydrofuran has a molecular weight of 196.33 g/mol, XLogP of 4.14, 0 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-methyl-2,3-dihydrofuran is sourced from PubChem (CID 23592138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).