[(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate

C9H14O6 — CID 66740696

IUPAC[(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC
InChIInChI=1S/C9H14O6/c1-11-5-3-13-8-6(4-14-7(5)8)15-9(10)12-2/h5-8H,3-4H2,1-2H3/t5-,6+,7+,8+/m0/s1
InChIKeyJHXDUEJPBPHBQI-LXGUWJNJSA-N
MW218.20 g/mol
LogP-0.05
Rot. Bonds2

About [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate

[(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate (PubChem CID 66740696) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate
PubChem CID66740696
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name[(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC
InChIInChI=1S/C9H14O6/c1-11-5-3-13-8-6(4-14-7(5)8)15-9(10)12-2/h5-8H,3-4H2,1-2H3/t5-,6+,7+,8+/m0/s1
InChIKeyJHXDUEJPBPHBQI-LXGUWJNJSA-N
XLogP-0.05
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.05
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)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate?
The IUPAC name of [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate (CID 66740696) is [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate.
What is the SMILES notation for [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate?
The canonical SMILES for [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate is COC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC.
What is the InChIKey of [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate?
The InChIKey is JHXDUEJPBPHBQI-LXGUWJNJSA-N. The full InChI is InChI=1S/C9H14O6/c1-11-5-3-13-8-6(4-14-7(5)8)15-9(10)12-2/h5-8H,3-4H2,1-2H3/t5-,6+,7+,8+/m0/s1.
What are the key properties of [(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate?
[(3S,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate has a molecular weight of 218.20 g/mol, XLogP of -0.05, 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)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] methyl carbonate is sourced from PubChem (CID 66740696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).