4-tert-butyl-2,3-dihydrofuran

C8H14O — CID 58312085

IUPAC4-tert-butyl-2,3-dihydrofuran
SMILESCC(C)(C)C1=COCC1
InChIInChI=1S/C8H14O/c1-8(2,3)7-4-5-9-6-7/h6H,4-5H2,1-3H3
InChIKeyNCPGOMICTDDHSY-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds

About 4-tert-butyl-2,3-dihydrofuran

4-tert-butyl-2,3-dihydrofuran (PubChem CID 58312085) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydrofuran
PubChem CID58312085
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-tert-butyl-2,3-dihydrofuran
SMILESCC(C)(C)C1=COCC1
InChIInChI=1S/C8H14O/c1-8(2,3)7-4-5-9-6-7/h6H,4-5H2,1-3H3
InChIKeyNCPGOMICTDDHSY-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydrofuran?
The IUPAC name of 4-tert-butyl-2,3-dihydrofuran (CID 58312085) is 4-tert-butyl-2,3-dihydrofuran.
What is the SMILES notation for 4-tert-butyl-2,3-dihydrofuran?
The canonical SMILES for 4-tert-butyl-2,3-dihydrofuran is CC(C)(C)C1=COCC1.
What is the InChIKey of 4-tert-butyl-2,3-dihydrofuran?
The InChIKey is NCPGOMICTDDHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(2,3)7-4-5-9-6-7/h6H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3-dihydrofuran?
4-tert-butyl-2,3-dihydrofuran has a molecular weight of 126.20 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydrofuran is sourced from PubChem (CID 58312085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).