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

C12H22O — CID 58778250

IUPAC3,4-ditert-butyl-2,3-dihydrofuran
SMILESCC(C)(C)C1=COCC1C(C)(C)C
InChIInChI=1S/C12H22O/c1-11(2,3)9-7-13-8-10(9)12(4,5)6/h7,10H,8H2,1-6H3
InChIKeyWELKTIJZGRAWPN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.61
Rot. Bonds

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

3,4-ditert-butyl-2,3-dihydrofuran (PubChem CID 58778250) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3,4-ditert-butyl-2,3-dihydrofuran.

Molecular Properties

Compound Name3,4-ditert-butyl-2,3-dihydrofuran
PubChem CID58778250
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3,4-ditert-butyl-2,3-dihydrofuran
SMILESCC(C)(C)C1=COCC1C(C)(C)C
InChIInChI=1S/C12H22O/c1-11(2,3)9-7-13-8-10(9)12(4,5)6/h7,10H,8H2,1-6H3
InChIKeyWELKTIJZGRAWPN-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-2,3-dihydrofuran?
The IUPAC name of 3,4-ditert-butyl-2,3-dihydrofuran (CID 58778250) is 3,4-ditert-butyl-2,3-dihydrofuran.
What is the SMILES notation for 3,4-ditert-butyl-2,3-dihydrofuran?
The canonical SMILES for 3,4-ditert-butyl-2,3-dihydrofuran is CC(C)(C)C1=COCC1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-2,3-dihydrofuran?
The InChIKey is WELKTIJZGRAWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2,3)9-7-13-8-10(9)12(4,5)6/h7,10H,8H2,1-6H3.
What are the key properties of 3,4-ditert-butyl-2,3-dihydrofuran?
3,4-ditert-butyl-2,3-dihydrofuran has a molecular weight of 182.31 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-2,3-dihydrofuran is sourced from PubChem (CID 58778250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).