[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate

C11H18O5 — CID 90662497

IUPAC[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1COC2C1OC[C@H]2O
InChIInChI=1S/C11H18O5/c1-11(2,3)10(13)16-7-5-15-8-6(12)4-14-9(7)8/h6-9,12H,4-5H2,1-3H3/t6-,7-,8?,9?/m1/s1
InChIKeyCHIWEWKYIIQJRZ-PZYMCFGQSA-N
MW230.26 g/mol
LogP0.10
Rot. Bonds1

About [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate

[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate (PubChem CID 90662497) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate
PubChem CID90662497
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1COC2C1OC[C@H]2O
InChIInChI=1S/C11H18O5/c1-11(2,3)10(13)16-7-5-15-8-6(12)4-14-9(7)8/h6-9,12H,4-5H2,1-3H3/t6-,7-,8?,9?/m1/s1
InChIKeyCHIWEWKYIIQJRZ-PZYMCFGQSA-N
XLogP0.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate (CID 90662497) is [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@H]1COC2C1OC[C@H]2O.
What is the InChIKey of [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate?
The InChIKey is CHIWEWKYIIQJRZ-PZYMCFGQSA-N. The full InChI is InChI=1S/C11H18O5/c1-11(2,3)10(13)16-7-5-15-8-6(12)4-14-9(7)8/h6-9,12H,4-5H2,1-3H3/t6-,7-,8?,9?/m1/s1.
What are the key properties of [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate?
[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate has a molecular weight of 230.26 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 90662497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).