4,5-ditert-butyl-3,3-dimethyl-2H-furan

C14H26O — CID 59129232

IUPAC4,5-ditert-butyl-3,3-dimethyl-2H-furan
SMILESCC(C)(C)C1=C(C(C)(C)C)C(C)(C)CO1
InChIInChI=1S/C14H26O/c1-12(2,3)10-11(13(4,5)6)15-9-14(10,7)8/h9H2,1-8H3
InChIKeySKUWJBQOGYIZJO-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.39
Rot. Bonds

About 4,5-ditert-butyl-3,3-dimethyl-2H-furan

4,5-ditert-butyl-3,3-dimethyl-2H-furan (PubChem CID 59129232) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4,5-ditert-butyl-3,3-dimethyl-2H-furan.

Molecular Properties

Compound Name4,5-ditert-butyl-3,3-dimethyl-2H-furan
PubChem CID59129232
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4,5-ditert-butyl-3,3-dimethyl-2H-furan
SMILESCC(C)(C)C1=C(C(C)(C)C)C(C)(C)CO1
InChIInChI=1S/C14H26O/c1-12(2,3)10-11(13(4,5)6)15-9-14(10,7)8/h9H2,1-8H3
InChIKeySKUWJBQOGYIZJO-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene
CID 89397950
2-fluoro-3,3,4,5-tetramethyl-2H-furan
CID 123896136
4,5-Ditert-butyl-2-propyl-2,3-dihydrofuran
CID 20773255
4,5-Di(propan-2-yl)-2,3-dihydrofuran
CID 22965809
4,5-Ditert-butyl-2-methyl-2,3-dihydrofuran
CID 23592138
4,5-ditert-butyl-3H-furan-2-thione
CID 57531846
4,5-Ditert-butyl-2,3-dihydrofuran
CID 57531847
4,5-ditert-butyl-2,2-dimethyl-3H-furan
CID 57908149
3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan
CID 58201807
4-Tert-butyl-5-propan-2-yl-2,3-dihydrofuran
CID 59506689
3,5-Ditert-butyl-4-propan-2-yl-2,3-dihydrofuran
CID 59616734
2,5-Dimethyl-4-propan-2-yl-2,3-dihydrofuran
CID 67579430

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-3,3-dimethyl-2H-furan?
The IUPAC name of 4,5-ditert-butyl-3,3-dimethyl-2H-furan (CID 59129232) is 4,5-ditert-butyl-3,3-dimethyl-2H-furan.
What is the SMILES notation for 4,5-ditert-butyl-3,3-dimethyl-2H-furan?
The canonical SMILES for 4,5-ditert-butyl-3,3-dimethyl-2H-furan is CC(C)(C)C1=C(C(C)(C)C)C(C)(C)CO1.
What is the InChIKey of 4,5-ditert-butyl-3,3-dimethyl-2H-furan?
The InChIKey is SKUWJBQOGYIZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-12(2,3)10-11(13(4,5)6)15-9-14(10,7)8/h9H2,1-8H3.
What are the key properties of 4,5-ditert-butyl-3,3-dimethyl-2H-furan?
4,5-ditert-butyl-3,3-dimethyl-2H-furan has a molecular weight of 210.36 g/mol, XLogP of 4.39, 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-3,3-dimethyl-2H-furan is sourced from PubChem (CID 59129232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).