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

C10H14O6 — CID 11770257

IUPAC[(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(C)=O
InChIInChI=1S/C10H14O6/c1-5(11)15-7-3-13-10-8(16-6(2)12)4-14-9(7)10/h7-10H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyNEZQWZBCEHOWJS-UTINFBMNSA-N
MW230.22 g/mol
LogP-0.35
Rot. Bonds2

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

[(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate (PubChem CID 11770257) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
PubChem CID11770257
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name[(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(C)=O
InChIInChI=1S/C10H14O6/c1-5(11)15-7-3-13-10-8(16-6(2)12)4-14-9(7)10/h7-10H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyNEZQWZBCEHOWJS-UTINFBMNSA-N
XLogP-0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate?
The IUPAC name of [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate (CID 11770257) is [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate.
What is the SMILES notation for [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate?
The canonical SMILES for [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate is CC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(C)=O.
What is the InChIKey of [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate?
The InChIKey is NEZQWZBCEHOWJS-UTINFBMNSA-N. The full InChI is InChI=1S/C10H14O6/c1-5(11)15-7-3-13-10-8(16-6(2)12)4-14-9(7)10/h7-10H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate?
[(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate has a molecular weight of 230.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aR)-6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate is sourced from PubChem (CID 11770257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).