3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H22O4 — CID 139314234

IUPAC3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)OC1COC2C(OC(C)C)COC12
InChIInChI=1S/C12H22O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3
InChIKeyADJOFKQEIQPYRI-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.37
Rot. Bonds4

About 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 139314234) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID139314234
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)OC1COC2C(OC(C)C)COC12
InChIInChI=1S/C12H22O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3
InChIKeyADJOFKQEIQPYRI-UHFFFAOYSA-N
XLogP1.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 139314234) is 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(C)OC1COC2C(OC(C)C)COC12.
What is the InChIKey of 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is ADJOFKQEIQPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 230.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 139314234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).