2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one

C7H10O3 — CID 171737177

IUPAC2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
SMILESO=C1CCC2OCCC2O1
InChIInChI=1S/C7H10O3/c8-7-2-1-5-6(10-7)3-4-9-5/h5-6H,1-4H2
InChIKeyGQABXWCCKUYFGO-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds

About 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one

2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one (PubChem CID 171737177) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one.

Molecular Properties

Compound Name2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
PubChem CID171737177
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
SMILESO=C1CCC2OCCC2O1
InChIInChI=1S/C7H10O3/c8-7-2-1-5-6(10-7)3-4-9-5/h5-6H,1-4H2
InChIKeyGQABXWCCKUYFGO-UHFFFAOYSA-N
XLogP0.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
The IUPAC name of 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one (CID 171737177) is 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one.
What is the SMILES notation for 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
The canonical SMILES for 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one is O=C1CCC2OCCC2O1.
What is the InChIKey of 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
The InChIKey is GQABXWCCKUYFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-7-2-1-5-6(10-7)3-4-9-5/h5-6H,1-4H2.
What are the key properties of 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one is sourced from PubChem (CID 171737177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).