8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid

C11H16O6 — CID 141092651

IUPAC8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OC1OC2OC12
InChIInChI=1S/C11H16O6/c12-7(13)5-3-1-2-4-6-8(14)15-10-9-11(16-9)17-10/h9-11H,1-6H2,(H,12,13)
InChIKeyVBUCTJMWBNSQLS-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.04
Rot. Bonds8

About 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid

8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid (PubChem CID 141092651) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid
PubChem CID141092651
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OC1OC2OC12
InChIInChI=1S/C11H16O6/c12-7(13)5-3-1-2-4-6-8(14)15-10-9-11(16-9)17-10/h9-11H,1-6H2,(H,12,13)
InChIKeyVBUCTJMWBNSQLS-UHFFFAOYSA-N
XLogP1.04
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-oxo-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
CID 141478226
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
heptakis(decanedioic acid);ethene
CID 173236204
9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid
CID 91478968
6-(dioxetan-3-yloxy)-6-oxohexanoic acid
CID 23030743
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid?
The IUPAC name of 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid (CID 141092651) is 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid.
What is the SMILES notation for 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid?
The canonical SMILES for 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)OC1OC2OC12.
What is the InChIKey of 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid?
The InChIKey is VBUCTJMWBNSQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c12-7(13)5-3-1-2-4-6-8(14)15-10-9-11(16-9)17-10/h9-11H,1-6H2,(H,12,13).
What are the key properties of 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid?
8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid has a molecular weight of 244.24 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dioxabicyclo[2.1.0]pentan-3-yloxy)-8-oxooctanoic acid is sourced from PubChem (CID 141092651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).