3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan

C20H30O6 — CID 59502487

IUPAC3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
SMILESC1CC2OC2CC1COC1COC2C(OCC3CCC4OC4C3)OCC12
InChIInChI=1S/C20H30O6/c1-3-14-16(25-14)5-11(1)7-21-18-10-22-19-13(18)9-24-20(19)23-8-12-2-4-15-17(6-12)26-15/h11-20H,1-10H2
InChIKeyMLSDWMDCIOMPLT-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.89
Rot. Bonds6

About 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan

3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan (PubChem CID 59502487) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan.

Molecular Properties

Compound Name3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
PubChem CID59502487
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Name3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
SMILESC1CC2OC2CC1COC1COC2C(OCC3CCC4OC4C3)OCC12
InChIInChI=1S/C20H30O6/c1-3-14-16(25-14)5-11(1)7-21-18-10-22-19-13(18)9-24-20(19)23-8-12-2-4-15-17(6-12)26-15/h11-20H,1-10H2
InChIKeyMLSDWMDCIOMPLT-UHFFFAOYSA-N
XLogP1.89
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
The IUPAC name of 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan (CID 59502487) is 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan.
What is the SMILES notation for 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
The canonical SMILES for 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan is C1CC2OC2CC1COC1COC2C(OCC3CCC4OC4C3)OCC12.
What is the InChIKey of 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
The InChIKey is MLSDWMDCIOMPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O6/c1-3-14-16(25-14)5-11(1)7-21-18-10-22-19-13(18)9-24-20(19)23-8-12-2-4-15-17(6-12)26-15/h11-20H,1-10H2.
What are the key properties of 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan has a molecular weight of 366.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan is sourced from PubChem (CID 59502487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).