(3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

C7H10O4 — CID 51358358

IUPAC(3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCOC1OC[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3/t4-,5-,7?/m0/s1
InChIKeyLQEIOPTZKCKTPQ-CNGBTNQNSA-N
MW158.15 g/mol
LogP-0.08
Rot. Bonds1

About (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

(3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 51358358) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Name(3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID51358358
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCOC1OC[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3/t4-,5-,7?/m0/s1
InChIKeyLQEIOPTZKCKTPQ-CNGBTNQNSA-N
XLogP-0.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 51358358) is (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is COC1OC[C@@H]2OC(=O)C[C@H]12.
What is the InChIKey of (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is LQEIOPTZKCKTPQ-CNGBTNQNSA-N. The full InChI is InChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3/t4-,5-,7?/m0/s1.
What are the key properties of (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
(3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 158.15 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 51358358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).