6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate

C10H18O7 — CID 23599841

IUPAC6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate
SMILESO=C(CO)OCCCCCCOC(=O)COO
InChIInChI=1S/C10H18O7/c11-7-9(12)15-5-3-1-2-4-6-16-10(13)8-17-14/h11,14H,1-8H2
InChIKeyKAUALUGEYSLMPI-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.12
Rot. Bonds10

About 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate

6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate (PubChem CID 23599841) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate.

Molecular Properties

Compound Name6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate
PubChem CID23599841
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate
SMILESO=C(CO)OCCCCCCOC(=O)COO
InChIInChI=1S/C10H18O7/c11-7-9(12)15-5-3-1-2-4-6-16-10(13)8-17-14/h11,14H,1-8H2
InChIKeyKAUALUGEYSLMPI-UHFFFAOYSA-N
XLogP0.12
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
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

hexacosyl 2-hydroxyacetate
CID 156789960
7,7-dimethyloctyl 2-hydroxyacetate
CID 138647116
CID 87119570
CID 87119570
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
6-methylheptyl 2-hydroxyacetate
CID 139509874
6-butoxyhexyl 2-hydroxyacetate
CID 151151015
6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate
CID 24937980
magnesium;butyl 2-hydroxyacetate;hydride
CID 173215691
6-hydroxytridecyl 2-hydroxyacetate
CID 121405219
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tridecyl 2-hydroxyacetate
CID 159507020
ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane
CID 163645846
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate?
The IUPAC name of 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate (CID 23599841) is 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate.
What is the SMILES notation for 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate?
The canonical SMILES for 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate is O=C(CO)OCCCCCCOC(=O)COO.
What is the InChIKey of 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate?
The InChIKey is KAUALUGEYSLMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c11-7-9(12)15-5-3-1-2-4-6-16-10(13)8-17-14/h11,14H,1-8H2.
What are the key properties of 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate?
6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate has a molecular weight of 250.25 g/mol, XLogP of 0.12, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate is sourced from PubChem (CID 23599841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).