(3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one

C7H10O3 — CID 11819162

IUPAC(3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one
SMILESO=C1C[C@H]2OCC[C@H]2CO1
InChIInChI=1S/C7H10O3/c8-7-3-6-5(4-10-7)1-2-9-6/h5-6H,1-4H2/t5-,6+/m0/s1
InChIKeyYOUADLRUXRSAJM-NTSWFWBYSA-N
MW142.15 g/mol
LogP0.34
Rot. Bonds

About (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one

(3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one (PubChem CID 11819162) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one.

Molecular Properties

Compound Name(3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one
PubChem CID11819162
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one
SMILESO=C1C[C@H]2OCC[C@H]2CO1
InChIInChI=1S/C7H10O3/c8-7-3-6-5(4-10-7)1-2-9-6/h5-6H,1-4H2/t5-,6+/m0/s1
InChIKeyYOUADLRUXRSAJM-NTSWFWBYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one?
The IUPAC name of (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one (CID 11819162) is (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one.
What is the SMILES notation for (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one?
The canonical SMILES for (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one is O=C1C[C@H]2OCC[C@H]2CO1.
What is the InChIKey of (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one?
The InChIKey is YOUADLRUXRSAJM-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10O3/c8-7-3-6-5(4-10-7)1-2-9-6/h5-6H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one?
(3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one has a molecular weight of 142.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-2,3,3a,4,7,7a-hexahydrofuro[3,2-c]pyran-6-one is sourced from PubChem (CID 11819162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).