2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid

C12H22O8 — CID 162035177

IUPAC2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid
SMILESCCCCCCCC(=O)OCC(=O)OO.O=C(O)CO
InChIInChI=1S/C10H18O5.C2H4O3/c1-2-3-4-5-6-7-9(11)14-8-10(12)15-13;3-1-2(4)5/h13H,2-8H2,1H3;3H,1H2,(H,4,5)
InChIKeyYWNZIXIXOBCHDF-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.97
Rot. Bonds9

About 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid

2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid (PubChem CID 162035177) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid.

Molecular Properties

Compound Name2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid
PubChem CID162035177
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid
SMILESCCCCCCCC(=O)OCC(=O)OO.O=C(O)CO
InChIInChI=1S/C10H18O5.C2H4O3/c1-2-3-4-5-6-7-9(11)14-8-10(12)15-13;3-1-2(4)5/h13H,2-8H2,1H3;3H,1H2,(H,4,5)
InChIKeyYWNZIXIXOBCHDF-UHFFFAOYSA-N
XLogP0.97
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-nonanoyloxyacetic acid
CID 19734907
2-undecanoyloxyacetic acid
CID 88767061
2-tetracosanoyloxyacetic acid
CID 88765616
(3-heptanoyloxy-2-oxopropyl) heptanoate
CID 134318597
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
tetradecaneperoxoic acid;titanium
CID 87908201
(2-chlorooxy-2-oxoethyl) octadecanoate
CID 174708264
(2-hexadecoxy-2-oxoethyl) hexanoate
CID 146318627
(2-chloro-2-oxoethyl) octadecanoate;2-octadecanoyloxyacetic acid
CID 159608143
hydroxymethyl nonanoate
CID 118275970
lithium;hydride;octadecaneperoxoic acid
CID 173037900
hydroxymethyl tetratriacontanoate
CID 141312892

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid?
The IUPAC name of 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid (CID 162035177) is 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid.
What is the SMILES notation for 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid?
The canonical SMILES for 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid is CCCCCCCC(=O)OCC(=O)OO.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid?
The InChIKey is YWNZIXIXOBCHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5.C2H4O3/c1-2-3-4-5-6-7-9(11)14-8-10(12)15-13;3-1-2(4)5/h13H,2-8H2,1H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid?
2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid has a molecular weight of 294.30 g/mol, XLogP of 0.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid is sourced from PubChem (CID 162035177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).