(3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one

C7H10O3 — CID 134847286

IUPAC(3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESO=C1C[C@@H]2OCCC[C@H]2O1
InChIInChI=1S/C7H10O3/c8-7-4-6-5(10-7)2-1-3-9-6/h5-6H,1-4H2/t5-,6+/m1/s1
InChIKeyYLPBKFNURJMKTE-RITPCOANSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds

About (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one

(3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (PubChem CID 134847286) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
PubChem CID134847286
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESO=C1C[C@@H]2OCCC[C@H]2O1
InChIInChI=1S/C7H10O3/c8-7-4-6-5(10-7)2-1-3-9-6/h5-6H,1-4H2/t5-,6+/m1/s1
InChIKeyYLPBKFNURJMKTE-RITPCOANSA-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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Related Compounds

(3aR,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 14958068
(3aS,5R,7aS)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 11789446
(3aR)-7a-methoxy-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
CID 12190305
(3aS,7aS)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 21681720
7a-methoxy-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
CID 85986665
(3aR,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 132551379
(3R,4aS,7aS)-3-methyl-4,4a,7,7a-tetrahydro-3H-furo[3,2-c][1,2]dioxin-6-one
CID 102170349
3,3a,5,6,7,7a-Hexahydrofuro[3,2-b]pyran-2-one
CID 72741821
[(6R,7S,7aS)-7-acetyloxy-2-oxo-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6-yl] acetate
CID 139475922
2,3,3a,6,7,7a-Hexahydrofuro[3,2-b]pyran-5-one
CID 171737177
(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 10997278
(5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
CID 11672799

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The IUPAC name of (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (CID 134847286) is (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.
What is the SMILES notation for (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The canonical SMILES for (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is O=C1C[C@@H]2OCCC[C@H]2O1.
What is the InChIKey of (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The InChIKey is YLPBKFNURJMKTE-RITPCOANSA-N. The full InChI is InChI=1S/C7H10O3/c8-7-4-6-5(10-7)2-1-3-9-6/h5-6H,1-4H2/t5-,6+/m1/s1.
What are the key properties of (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
(3aS,7aR)-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 (3aS,7aR)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is sourced from PubChem (CID 134847286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).