[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate

C10H16O4 — CID 118882980

IUPAC[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1COC2CCOC21
InChIInChI=1S/C10H16O4/c1-6(2)10(11)14-8-5-13-7-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3/t7?,8-,9?/m0/s1
InChIKeyFYXGTADCDBDESW-MGURRDGZSA-N
MW200.23 g/mol
LogP0.74
Rot. Bonds2

About [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate

[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate (PubChem CID 118882980) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
PubChem CID118882980
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1COC2CCOC21
InChIInChI=1S/C10H16O4/c1-6(2)10(11)14-8-5-13-7-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3/t7?,8-,9?/m0/s1
InChIKeyFYXGTADCDBDESW-MGURRDGZSA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
The IUPAC name of [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate (CID 118882980) is [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate.
What is the SMILES notation for [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
The canonical SMILES for [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate is CC(C)C(=O)O[C@H]1COC2CCOC21.
What is the InChIKey of [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
The InChIKey is FYXGTADCDBDESW-MGURRDGZSA-N. The full InChI is InChI=1S/C10H16O4/c1-6(2)10(11)14-8-5-13-7-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3/t7?,8-,9?/m0/s1.
What are the key properties of [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate has a molecular weight of 200.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate is sourced from PubChem (CID 118882980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).