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

C11H18O5 — CID 13072435

IUPAC(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
SMILESCCCCC(=O)OC1COC2C(O)COC12
InChIInChI=1S/C11H18O5/c1-2-3-4-9(13)16-8-6-15-10-7(12)5-14-11(8)10/h7-8,10-12H,2-6H2,1H3
InChIKeyVMZIZPVLLXQYBP-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.25
Rot. Bonds4

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

(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate (PubChem CID 13072435) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate.

Molecular Properties

Compound Name(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
PubChem CID13072435
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
SMILESCCCCC(=O)OC1COC2C(O)COC12
InChIInChI=1S/C11H18O5/c1-2-3-4-9(13)16-8-6-15-10-7(12)5-14-11(8)10/h7-8,10-12H,2-6H2,1H3
InChIKeyVMZIZPVLLXQYBP-UHFFFAOYSA-N
XLogP0.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.25
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) pentanoate?
The IUPAC name of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate (CID 13072435) is (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate.
What is the SMILES notation for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The canonical SMILES for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate is CCCCC(=O)OC1COC2C(O)COC12.
What is the InChIKey of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The InChIKey is VMZIZPVLLXQYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-2-3-4-9(13)16-8-6-15-10-7(12)5-14-11(8)10/h7-8,10-12H,2-6H2,1H3.
What are the key properties of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate has a molecular weight of 230.26 g/mol, XLogP of 0.25, 4 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) pentanoate is sourced from PubChem (CID 13072435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).