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

C13H20O6 — CID 118047556

IUPAC(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate
SMILESCCC(=O)OC1COC2C(OC(=O)C(C)C)COC12
InChIInChI=1S/C13H20O6/c1-4-10(14)18-8-5-16-12-9(6-17-11(8)12)19-13(15)7(2)3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyXJBGGYXBOLGYDG-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.67
Rot. Bonds4

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

(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate (PubChem CID 118047556) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate
PubChem CID118047556
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate
SMILESCCC(=O)OC1COC2C(OC(=O)C(C)C)COC12
InChIInChI=1S/C13H20O6/c1-4-10(14)18-8-5-16-12-9(6-17-11(8)12)19-13(15)7(2)3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyXJBGGYXBOLGYDG-UHFFFAOYSA-N
XLogP0.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate
CID 101024949
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 137484809
[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 118882980
[(3S,3aR,6S,6aR)-6-(2-cyanatoacetyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] propanoate
CID 118403211
[(3S,3aR,6S,6aR)-6-[2-(2-methylpropanoylamino)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(2-methylpropanoylamino)acetate
CID 118403222
[6-[2-(2-methylpropanoylamino)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(2-methylpropanoylamino)acetate
CID 118403221
[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium
CID 140638767
[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate
CID 59456178
(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
CID 77273169
2-[(4S,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl]propanoic acid
CID 156573027
[(2S,4R,5S)-2,5-di(propanoyloxy)oxan-4-yl] propanoate
CID 162450779
[(3R,4S,5R,6R)-6-hydroxy-4,5-di(propanoyloxy)oxan-3-yl] propanoate
CID 137357258

Frequently Asked Questions

What is the IUPAC name of (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate?
The IUPAC name of (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate (CID 118047556) is (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate.
What is the SMILES notation for (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate?
The canonical SMILES for (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate is CCC(=O)OC1COC2C(OC(=O)C(C)C)COC12.
What is the InChIKey of (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate?
The InChIKey is XJBGGYXBOLGYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-4-10(14)18-8-5-16-12-9(6-17-11(8)12)19-13(15)7(2)3/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate?
(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate has a molecular weight of 272.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate is sourced from PubChem (CID 118047556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).