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

C7H10O3 — CID 72741821

IUPAC3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESO=C1CC2OCCCC2O1
InChIInChI=1S/C7H10O3/c8-7-4-6-5(10-7)2-1-3-9-6/h5-6H,1-4H2
InChIKeyYLPBKFNURJMKTE-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds

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

3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (PubChem CID 72741821) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.

Molecular Properties

Compound Name3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
PubChem CID72741821
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESO=C1CC2OCCCC2O1
InChIInChI=1S/C7H10O3/c8-7-4-6-5(10-7)2-1-3-9-6/h5-6H,1-4H2
InChIKeyYLPBKFNURJMKTE-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 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The IUPAC name of 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (CID 72741821) is 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.
What is the SMILES notation for 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The canonical SMILES for 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is O=C1CC2OCCCC2O1.
What is the InChIKey of 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The InChIKey is YLPBKFNURJMKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-7-4-6-5(10-7)2-1-3-9-6/h5-6H,1-4H2.
What are the key properties of 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-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 3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is sourced from PubChem (CID 72741821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).