6-carboxyperoxy-6-oxohexanoic acid

C7H10O7 — CID 139916603

IUPAC6-carboxyperoxy-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OOC(=O)O
InChIInChI=1S/C7H10O7/c8-5(9)3-1-2-4-6(10)13-14-7(11)12/h1-4H2,(H,8,9)(H,11,12)
InChIKeyBYCWFMFMPJAOAU-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.78
Rot. Bonds5

About 6-carboxyperoxy-6-oxohexanoic acid

6-carboxyperoxy-6-oxohexanoic acid (PubChem CID 139916603) has the molecular formula C7H10O7 and a molecular weight of 206.15 g/mol. Its IUPAC name is 6-carboxyperoxy-6-oxohexanoic acid.

Molecular Properties

Compound Name6-carboxyperoxy-6-oxohexanoic acid
PubChem CID139916603
Molecular FormulaC7H10O7
Molecular Weight206.15 g/mol
Exact Mass206.04
IUPAC Name6-carboxyperoxy-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OOC(=O)O
InChIInChI=1S/C7H10O7/c8-5(9)3-1-2-4-6(10)13-14-7(11)12/h1-4H2,(H,8,9)(H,11,12)
InChIKeyBYCWFMFMPJAOAU-UHFFFAOYSA-N
XLogP0.78
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

9-(8-carboxyoctanoyloxyperoxy)-9-oxononanoic acid
CID 156540540
sodium 6-carboxyperoxy-6-oxohexanoate
CID 139916602
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
16-hydroperoxy-16-oxohexadecanoic acid
CID 141025407
azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
CID 173386370
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
9-hydroperoxy-9-oxononanoic acid
CID 54396666
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of 6-carboxyperoxy-6-oxohexanoic acid?
The IUPAC name of 6-carboxyperoxy-6-oxohexanoic acid (CID 139916603) is 6-carboxyperoxy-6-oxohexanoic acid.
What is the SMILES notation for 6-carboxyperoxy-6-oxohexanoic acid?
The canonical SMILES for 6-carboxyperoxy-6-oxohexanoic acid is O=C(O)CCCCC(=O)OOC(=O)O.
What is the InChIKey of 6-carboxyperoxy-6-oxohexanoic acid?
The InChIKey is BYCWFMFMPJAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7/c8-5(9)3-1-2-4-6(10)13-14-7(11)12/h1-4H2,(H,8,9)(H,11,12).
What are the key properties of 6-carboxyperoxy-6-oxohexanoic acid?
6-carboxyperoxy-6-oxohexanoic acid has a molecular weight of 206.15 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carboxyperoxy-6-oxohexanoic acid is sourced from PubChem (CID 139916603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).