3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C14H26O2 — CID 58443955

IUPAC3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)(C)C1COC2C1OCC2C(C)(C)C
InChIInChI=1S/C14H26O2/c1-13(2,3)9-7-15-12-10(14(4,5)6)8-16-11(9)12/h9-12H,7-8H2,1-6H3
InChIKeyQTIIQPMVDXYFGF-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.11
Rot. Bonds

About 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 58443955) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID58443955
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)(C)C1COC2C1OCC2C(C)(C)C
InChIInChI=1S/C14H26O2/c1-13(2,3)9-7-15-12-10(14(4,5)6)8-16-11(9)12/h9-12H,7-8H2,1-6H3
InChIKeyQTIIQPMVDXYFGF-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 58443955) is 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(C)(C)C1COC2C1OCC2C(C)(C)C.
What is the InChIKey of 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is QTIIQPMVDXYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2,3)9-7-15-12-10(14(4,5)6)8-16-11(9)12/h9-12H,7-8H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 226.36 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 58443955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).