4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran

C14H26O — CID 129192824

IUPAC4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran
SMILESCC(C)C1=C(C(C)(C)C)COC1C(C)C
InChIInChI=1S/C14H26O/c1-9(2)12-11(14(5,6)7)8-15-13(12)10(3)4/h9-10,13H,8H2,1-7H3
InChIKeyZFDAOIARYNIIHV-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.04
Rot. Bonds2

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

4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran (PubChem CID 129192824) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran.

Molecular Properties

Compound Name4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran
PubChem CID129192824
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran
SMILESCC(C)C1=C(C(C)(C)C)COC1C(C)C
InChIInChI=1S/C14H26O/c1-9(2)12-11(14(5,6)7)8-15-13(12)10(3)4/h9-10,13H,8H2,1-7H3
InChIKeyZFDAOIARYNIIHV-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran?
The IUPAC name of 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran (CID 129192824) is 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran.
What is the SMILES notation for 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran?
The canonical SMILES for 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran is CC(C)C1=C(C(C)(C)C)COC1C(C)C.
What is the InChIKey of 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran?
The InChIKey is ZFDAOIARYNIIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-9(2)12-11(14(5,6)7)8-15-13(12)10(3)4/h9-10,13H,8H2,1-7H3.
What are the key properties of 4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran?
4-tert-butyl-2,3-di(propan-2-yl)-2,5-dihydrofuran has a molecular weight of 210.36 g/mol, XLogP of 4.04, 2 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-di(propan-2-yl)-2,5-dihydrofuran is sourced from PubChem (CID 129192824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).