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

C11H20O — CID 59506689

IUPAC4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran
SMILESCC(C)C1=C(C(C)(C)C)CCO1
InChIInChI=1S/C11H20O/c1-8(2)10-9(6-7-12-10)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyYOPJTDKQHSRBCF-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds1

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

4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran (PubChem CID 59506689) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran
PubChem CID59506689
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran
SMILESCC(C)C1=C(C(C)(C)C)CCO1
InChIInChI=1S/C11H20O/c1-8(2)10-9(6-7-12-10)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyYOPJTDKQHSRBCF-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran?
The IUPAC name of 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran (CID 59506689) is 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran.
What is the SMILES notation for 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran?
The canonical SMILES for 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran is CC(C)C1=C(C(C)(C)C)CCO1.
What is the InChIKey of 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran?
The InChIKey is YOPJTDKQHSRBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-9(6-7-12-10)11(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran?
4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran has a molecular weight of 168.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-propan-2-yl-2,3-dihydrofuran is sourced from PubChem (CID 59506689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).