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

C10H16O5 — CID 13072433

IUPAC(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate
SMILESCCCC(=O)OC1COC2C(O)COC12
InChIInChI=1S/C10H16O5/c1-2-3-8(12)15-7-5-14-9-6(11)4-13-10(7)9/h6-7,9-11H,2-5H2,1H3
InChIKeyIJEFSNISNQFLNH-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.14
Rot. Bonds3

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

(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate (PubChem CID 13072433) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate.

Molecular Properties

Compound Name(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate
PubChem CID13072433
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate
SMILESCCCC(=O)OC1COC2C(O)COC12
InChIInChI=1S/C10H16O5/c1-2-3-8(12)15-7-5-14-9-6(11)4-13-10(7)9/h6-7,9-11H,2-5H2,1H3
InChIKeyIJEFSNISNQFLNH-UHFFFAOYSA-N
XLogP-0.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate?
The IUPAC name of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate (CID 13072433) is (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate.
What is the SMILES notation for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate?
The canonical SMILES for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate is CCCC(=O)OC1COC2C(O)COC12.
What is the InChIKey of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate?
The InChIKey is IJEFSNISNQFLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-2-3-8(12)15-7-5-14-9-6(11)4-13-10(7)9/h6-7,9-11H,2-5H2,1H3.
What are the key properties of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate?
(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate has a molecular weight of 216.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) butanoate is sourced from PubChem (CID 13072433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).