[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate

C8H12O4 — CID 10986732

IUPAC[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate
SMILESCC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]21
InChIInChI=1S/C8H12O4/c1-5(9)12-7-4-11-8-6(7)2-3-10-8/h6-8H,2-4H2,1H3/t6-,7-,8+/m1/s1
InChIKeyRCXLRBOCGWECNI-PRJMDXOYSA-N
MW172.18 g/mol
LogP0.31
Rot. Bonds1

About [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate

[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate (PubChem CID 10986732) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate.

Molecular Properties

Compound Name[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate
PubChem CID10986732
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate
SMILESCC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]21
InChIInChI=1S/C8H12O4/c1-5(9)12-7-4-11-8-6(7)2-3-10-8/h6-8H,2-4H2,1H3/t6-,7-,8+/m1/s1
InChIKeyRCXLRBOCGWECNI-PRJMDXOYSA-N
XLogP0.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
The IUPAC name of [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate (CID 10986732) is [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate.
What is the SMILES notation for [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
The canonical SMILES for [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate is CC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]21.
What is the InChIKey of [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
The InChIKey is RCXLRBOCGWECNI-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-5(9)12-7-4-11-8-6(7)2-3-10-8/h6-8H,2-4H2,1H3/t6-,7-,8+/m1/s1.
What are the key properties of [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate has a molecular weight of 172.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate is sourced from PubChem (CID 10986732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).