5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one

C11H16O7 — CID 558876

IUPAC5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one
SMILESCOC(OC(O)C1CCC(=O)O1)C1CCC(=O)O1
InChIInChI=1S/C11H16O7/c1-15-11(7-3-5-9(13)17-7)18-10(14)6-2-4-8(12)16-6/h6-7,10-11,14H,2-5H2,1H3
InChIKeyOUKPPIUZYBOFNZ-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.29
Rot. Bonds5

About 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one

5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one (PubChem CID 558876) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one.

Molecular Properties

Compound Name5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one
PubChem CID558876
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one
SMILESCOC(OC(O)C1CCC(=O)O1)C1CCC(=O)O1
InChIInChI=1S/C11H16O7/c1-15-11(7-3-5-9(13)17-7)18-10(14)6-2-4-8(12)16-6/h6-7,10-11,14H,2-5H2,1H3
InChIKeyOUKPPIUZYBOFNZ-UHFFFAOYSA-N
XLogP-0.29
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 11171261
[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] pentanoate
CID 44337177
Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
CID 12641503
ethyl (3aR,5S,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylate
CID 14120156
propan-2-yl (3aR,5S,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylate
CID 134916403
(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid
CID 9990018
ethyl 2-[(3aR,5S,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 10753813
3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 10866819
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11229076
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
CID 12914574
ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoate
CID 12914575
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoate
CID 12914576

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one?
The IUPAC name of 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one (CID 558876) is 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one.
What is the SMILES notation for 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one?
The canonical SMILES for 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one is COC(OC(O)C1CCC(=O)O1)C1CCC(=O)O1.
What is the InChIKey of 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one?
The InChIKey is OUKPPIUZYBOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O7/c1-15-11(7-3-5-9(13)17-7)18-10(14)6-2-4-8(12)16-6/h6-7,10-11,14H,2-5H2,1H3.
What are the key properties of 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one?
5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one has a molecular weight of 260.24 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-[methoxy-(5-oxooxolan-2-yl)methoxy]methyl]oxolan-2-one is sourced from PubChem (CID 558876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).