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

C13H24O5 — CID 176936995

IUPACethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
SMILESCC.CCCCC(=O)OC1COC2C(O)COC12
InChIInChI=1S/C11H18O5.C2H6/c1-2-3-4-9(13)16-8-6-15-10-7(12)5-14-11(8)10;1-2/h7-8,10-12H,2-6H2,1H3;1-2H3
InChIKeyRKSABOJFARPTAC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.27
Rot. Bonds4

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

ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate (PubChem CID 176936995) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate.

Molecular Properties

Compound Nameethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
PubChem CID176936995
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Nameethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
SMILESCC.CCCCC(=O)OC1COC2C(O)COC12
InChIInChI=1S/C11H18O5.C2H6/c1-2-3-4-9(13)16-8-6-15-10-7(12)5-14-11(8)10;1-2/h7-8,10-12H,2-6H2,1H3;1-2H3
InChIKeyRKSABOJFARPTAC-UHFFFAOYSA-N
XLogP1.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The IUPAC name of ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate (CID 176936995) is ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate.
What is the SMILES notation for ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The canonical SMILES for ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate is CC.CCCCC(=O)OC1COC2C(O)COC12.
What is the InChIKey of ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The InChIKey is RKSABOJFARPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5.C2H6/c1-2-3-4-9(13)16-8-6-15-10-7(12)5-14-11(8)10;1-2/h7-8,10-12H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate has a molecular weight of 260.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate is sourced from PubChem (CID 176936995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).